AD95916
84545-00-6 | 3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD95916
ChemicalName
3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
CasNumber
84545-00-6
MolecularFormula
C8H12O4
MolecularWeight
172.1785
MdlNumber
MFCD19688558
Smiles
COC(=O)C1CCC(C1)C(=O)O
NscNumber
50877
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
0.5
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CatalogNumber: AD95916
ChemicalName: 3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
CasNumber: 84545-00-6
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD19688558
Smiles: COC(=O)C1CCC(C1)C(=O)O
NscNumber: 50877
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.5
CatalogNumber:
AD95916
ChemicalName:
3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
CasNumber:
84545-00-6
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD19688558
Smiles:
COC(=O)C1CCC(C1)C(=O)O
NscNumber:
50877
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.5
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Smiles: CC(C(C(=O)[O-])NS(=O)(=O)c1cccc2c1cccc2N(C)C)O.[NH3+]C1CCCCC1
NscNumber: __
Complexity: __
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Smiles:
CC(C(C(=O)[O-])NS(=O)(=O)c1cccc2c1cccc2N(C)C)O.[NH3+]C1CCCCC1
NscNumber:
__
Complexity:
__
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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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: NC1CCCCC1.CCCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
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Complexity: __
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__
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Smiles:
NC1CCCCC1.CCCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: Oc1cc(C)c(c(n1)O)C
NscNumber: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(C)c(c(n1)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__