AG61976
56124-48-2 | 6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG61976
ChemicalName
6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
CasNumber
56124-48-2
MolecularFormula
C9H12O4
MolecularWeight
184.1892
MdlNumber
MFCD00757425
Smiles
COC(=O)C1CC=CCC1C(=O)O
NscNumber
292899
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
0.8
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CatalogNumber: AG61976
ChemicalName: 6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
CasNumber: 56124-48-2
MolecularFormula: C9H12O4
MolecularWeight: 184.1892
MdlNumber: MFCD00757425
Smiles: COC(=O)C1CC=CCC1C(=O)O
NscNumber: 292899
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.8
CatalogNumber:
AG61976
ChemicalName:
6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
CasNumber:
56124-48-2
MolecularFormula:
C9H12O4
MolecularWeight:
184.1892
MdlNumber:
MFCD00757425
Smiles:
COC(=O)C1CC=CCC1C(=O)O
NscNumber:
292899
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.8
CatalogNumber: __
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Smiles: COC(=O)c1ccc(c(c1O)O)O
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COC(=O)c1ccc(c(c1O)O)O
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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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1csnc1
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1csnc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(c1nccc(c1[N+](=O)[O-])C)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(c1nccc(c1[N+](=O)[O-])C)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__