AB40677
306297-19-8 | 4-Cyano-2,6-dimethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB40677
ChemicalName
4-Cyano-2,6-dimethylbenzoic acid
CasNumber
306297-19-8
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD20641932
Smiles
N#Cc1cc(C)c(c(c1)C)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB40677
ChemicalName: 4-Cyano-2,6-dimethylbenzoic acid
CasNumber: 306297-19-8
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD20641932
Smiles: N#Cc1cc(C)c(c(c1)C)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB40677
ChemicalName:
4-Cyano-2,6-dimethylbenzoic acid
CasNumber:
306297-19-8
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD20641932
Smiles:
N#Cc1cc(C)c(c(c1)C)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1c(C)cc(cc1C)N)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1c(C)cc(cc1C)N)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1c(C)cc(cc1C)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1c(C)cc(cc1C)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOC(=O)N1CCC(=O)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOC(=O)N1CCC(=O)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__