AC65095
67950-95-2 | 1-(Carboxymethyl)cyclohexane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC65095
ChemicalName
1-(Carboxymethyl)cyclohexane-1-carboxylic acid
CasNumber
67950-95-2
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD04037521
Smiles
OC(=O)C1(CCCCC1)CC(=O)O
NscNumber
90823
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AC65095
ChemicalName: 1-(Carboxymethyl)cyclohexane-1-carboxylic acid
CasNumber: 67950-95-2
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD04037521
Smiles: OC(=O)C1(CCCCC1)CC(=O)O
NscNumber: 90823
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AC65095
ChemicalName:
1-(Carboxymethyl)cyclohexane-1-carboxylic acid
CasNumber:
67950-95-2
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD04037521
Smiles:
OC(=O)C1(CCCCC1)CC(=O)O
NscNumber:
90823
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1C2CC1C2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MdlNumber:
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Smiles:
NC1C2CC1C2
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)c1c[nH]c(=O)[nH]1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)c1c[nH]c(=O)[nH]1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Cn1ncc(c(c1=O)Cl)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cn1ncc(c(c1=O)Cl)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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