AF00654
1794-58-7 | 2-(3,4-Dimethoxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00654
ChemicalName
2-(3,4-Dimethoxyphenyl)benzoic acid
CasNumber
1794-58-7
MolecularFormula
C15H14O4
MolecularWeight
258.2693
MdlNumber
MFCD11932249
Smiles
COc1cc(ccc1OC)c1ccccc1C(=O)O
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AF00654
ChemicalName: 2-(3,4-Dimethoxyphenyl)benzoic acid
CasNumber: 1794-58-7
MolecularFormula: C15H14O4
MolecularWeight: 258.2693
MdlNumber: MFCD11932249
Smiles: COc1cc(ccc1OC)c1ccccc1C(=O)O
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AF00654
ChemicalName:
2-(3,4-Dimethoxyphenyl)benzoic acid
CasNumber:
1794-58-7
MolecularFormula:
C15H14O4
MolecularWeight:
258.2693
MdlNumber:
MFCD11932249
Smiles:
COc1cc(ccc1OC)c1ccccc1C(=O)O
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccnc1c1ccnn1C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccnc1c1ccnn1C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF00656
ChemicalName: N-Isopropyl 5-nitropicolinamide
CasNumber: 1437794-85-8
MolecularFormula: C9H11N3O3
MolecularWeight: 209.2019
MdlNumber: MFCD24448821
Smiles: CC(NC(=O)c1ccc(cn1)[N+](=O)[O-])C
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AF00656
ChemicalName:
N-Isopropyl 5-nitropicolinamide
CasNumber:
1437794-85-8
MolecularFormula:
C9H11N3O3
MolecularWeight:
209.2019
MdlNumber:
MFCD24448821
Smiles:
CC(NC(=O)c1ccc(cn1)[N+](=O)[O-])C
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C=O)cc(c1)c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C=O)cc(c1)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__