AF31644
25023-36-3 | (2-Methyl-imidazol-1-yl)-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF31644
ChemicalName
(2-Methyl-imidazol-1-yl)-acetic acid
CasNumber
25023-36-3
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD03250177
Smiles
Cc1nccn1CC(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AF31644
ChemicalName: (2-Methyl-imidazol-1-yl)-acetic acid
CasNumber: 25023-36-3
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD03250177
Smiles: Cc1nccn1CC(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AF31644
ChemicalName:
(2-Methyl-imidazol-1-yl)-acetic acid
CasNumber:
25023-36-3
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD03250177
Smiles:
Cc1nccn1CC(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1)c1ccc(c(c1)C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1)c1ccc(c(c1)C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF31647
ChemicalName: 3-(4-Acetylphenyl)benzonitrile
CasNumber: 253678-90-9
MolecularFormula: C15H11NO
MolecularWeight: 221.2539
MdlNumber: MFCD06802012
Smiles: N#Cc1cccc(c1)c1ccc(cc1)C(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AF31647
ChemicalName:
3-(4-Acetylphenyl)benzonitrile
CasNumber:
253678-90-9
MolecularFormula:
C15H11NO
MolecularWeight:
221.2539
MdlNumber:
MFCD06802012
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)C(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3