AG25893
4342-60-3 | 4-Methylcyclohex-3-ene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG25893
ChemicalName
4-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber
4342-60-3
MolecularFormula
C8H12O2
MolecularWeight
140.17968
MdlNumber
MFCD02238356
Smiles
CC1=CCC(CC1)C(=O)O
NscNumber
99286
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AG25893
ChemicalName: 4-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber: 4342-60-3
MolecularFormula: C8H12O2
MolecularWeight: 140.17968
MdlNumber: MFCD02238356
Smiles: CC1=CCC(CC1)C(=O)O
NscNumber: 99286
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AG25893
ChemicalName:
4-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber:
4342-60-3
MolecularFormula:
C8H12O2
MolecularWeight:
140.17968
MdlNumber:
MFCD02238356
Smiles:
CC1=CCC(CC1)C(=O)O
NscNumber:
99286
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: O=C(c1ccc(cc1)C)C1CCC1
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=C(c1ccc(cc1)C)C1CCC1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Oc1ccc(c(c1)C)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Oc1ccc(c(c1)C)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1cccc(c1)OCc1ccccc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1cccc(c1)OCc1ccccc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__