AB67578
619-66-9 | 4-Carboxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB67578
ChemicalName
4-Carboxybenzaldehyde
CasNumber
619-66-9
MolecularFormula
C8H6O3
MolecularWeight
150.1314
MdlNumber
MFCD00006951
Smiles
O=Cc1ccc(cc1)C(=O)O
NscNumber
15797
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB67578
ChemicalName: 4-Carboxybenzaldehyde
CasNumber: 619-66-9
MolecularFormula: C8H6O3
MolecularWeight: 150.1314
MdlNumber: MFCD00006951
Smiles: O=Cc1ccc(cc1)C(=O)O
NscNumber: 15797
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB67578
ChemicalName:
4-Carboxybenzaldehyde
CasNumber:
619-66-9
MolecularFormula:
C8H6O3
MolecularWeight:
150.1314
MdlNumber:
MFCD00006951
Smiles:
O=Cc1ccc(cc1)C(=O)O
NscNumber:
15797
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB67579
ChemicalName: 4'-Formylbiphenyl-3-carboxylic acid
CasNumber: 222180-20-3
MolecularFormula: C14H10O3
MolecularWeight: 226.2274
MdlNumber: MFCD03426484
Smiles: O=Cc1ccc(cc1)c1cccc(c1)C(=O)O
NscNumber: __
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB67579
ChemicalName:
4'-Formylbiphenyl-3-carboxylic acid
CasNumber:
222180-20-3
MolecularFormula:
C14H10O3
MolecularWeight:
226.2274
MdlNumber:
MFCD03426484
Smiles:
O=Cc1ccc(cc1)c1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOCCNC(=O)c1ccc(cc1)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOCCNC(=O)c1ccc(cc1)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67581
ChemicalName: 4-Formylphenoxyacetic acid
CasNumber: 22042-71-3
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD00016613
Smiles: O=Cc1ccc(cc1)OCC(=O)O
NscNumber: __
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AB67581
ChemicalName:
4-Formylphenoxyacetic acid
CasNumber:
22042-71-3
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD00016613
Smiles:
O=Cc1ccc(cc1)OCC(=O)O
NscNumber:
__
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8