AD46628
32529-79-6 | 4-Carbomethoxy-cyclohexane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD46628
ChemicalName
4-Carbomethoxy-cyclohexane-1-carboxylic acid
CasNumber
32529-79-6
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD06797561
Smiles
COC(=O)C1CCC(CC1)C(=O)O
NscNumber
167365
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AD46628
ChemicalName: 4-Carbomethoxy-cyclohexane-1-carboxylic acid
CasNumber: 32529-79-6
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD06797561
Smiles: COC(=O)C1CCC(CC1)C(=O)O
NscNumber: 167365
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AD46628
ChemicalName:
4-Carbomethoxy-cyclohexane-1-carboxylic acid
CasNumber:
32529-79-6
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD06797561
Smiles:
COC(=O)C1CCC(CC1)C(=O)O
NscNumber:
167365
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
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Smiles: CC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
CC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)C
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Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: Nc1n(nnc1c1ccccc1)Cc1ccccc1
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Smiles:
Nc1n(nnc1c1ccccc1)Cc1ccccc1
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)/C=C/C1=NN(C(C1)c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
c1ccc(cc1)/C=C/C1=NN(C(C1)c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__