AA88906
16646-42-7 | 1-Methylcyclohex-3-ene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88906
ChemicalName
1-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber
16646-42-7
MolecularFormula
C8H12O2
MolecularWeight
140.1797
MdlNumber
MFCD01735194
Smiles
OC(=O)C1(C)CCC=CC1
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AA88906
ChemicalName: 1-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber: 16646-42-7
MolecularFormula: C8H12O2
MolecularWeight: 140.1797
MdlNumber: MFCD01735194
Smiles: OC(=O)C1(C)CCC=CC1
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AA88906
ChemicalName:
1-Methylcyclohex-3-ene-1-carboxylic acid
CasNumber:
16646-42-7
MolecularFormula:
C8H12O2
MolecularWeight:
140.1797
MdlNumber:
MFCD01735194
Smiles:
OC(=O)C1(C)CCC=CC1
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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MolecularFormula: __
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Smiles: CN(O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MdlNumber:
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Smiles:
CN(O)C.Cl
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCC/C=C/I
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Xlogp3: __
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__
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MolecularFormula:
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MdlNumber:
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Smiles:
CCCC/C=C/I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: ClCc1cc(cc(c1O)C=O)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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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:
ClCc1cc(cc(c1O)C=O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__