AB44548
6493-77-2 | 3-Cyclohexene-1-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB44548
ChemicalName
3-Cyclohexene-1-carboxylic acid methyl ester
CasNumber
6493-77-2
MolecularFormula
C8H12O2
MolecularWeight
140.1797
MdlNumber
MFCD30729884
Smiles
COC(=O)C1CCC=CC1
NscNumber
93912
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB44548
ChemicalName: 3-Cyclohexene-1-carboxylic acid methyl ester
CasNumber: 6493-77-2
MolecularFormula: C8H12O2
MolecularWeight: 140.1797
MdlNumber: MFCD30729884
Smiles: COC(=O)C1CCC=CC1
NscNumber: 93912
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB44548
ChemicalName:
3-Cyclohexene-1-carboxylic acid methyl ester
CasNumber:
6493-77-2
MolecularFormula:
C8H12O2
MolecularWeight:
140.1797
MdlNumber:
MFCD30729884
Smiles:
COC(=O)C1CCC=CC1
NscNumber:
93912
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CCC=CC1
NscNumber: __
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCC=CC1
NscNumber:
__
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCN(C)C
NscNumber: __
Complexity: 35.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCN(C)C
NscNumber:
__
Complexity:
35.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCCN(C)C.Cl
NscNumber: __
Complexity: 37.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCCN(C)C.Cl
NscNumber:
__
Complexity:
37.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__