AA36286
1261905-12-7 | 3-(3-Carboxyphenyl)-5-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36286
ChemicalName
3-(3-Carboxyphenyl)-5-methoxybenzoic acid
CasNumber
1261905-12-7
MolecularFormula
C15H12O5
MolecularWeight
272.2528
MdlNumber
MFCD18320257
Smiles
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)O
Complexity
367
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AA36286
ChemicalName: 3-(3-Carboxyphenyl)-5-methoxybenzoic acid
CasNumber: 1261905-12-7
MolecularFormula: C15H12O5
MolecularWeight: 272.2528
MdlNumber: MFCD18320257
Smiles: COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)O
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AA36286
ChemicalName:
3-(3-Carboxyphenyl)-5-methoxybenzoic acid
CasNumber:
1261905-12-7
MolecularFormula:
C15H12O5
MolecularWeight:
272.2528
MdlNumber:
MFCD18320257
Smiles:
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)O
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: AA36287
ChemicalName: 4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid
CasNumber: 1261904-84-0
MolecularFormula: C14H10ClFO3
MolecularWeight: 280.6788
MdlNumber: MFCD18321620
Smiles: COc1ccc(c(c1)c1ccc(cc1F)C(=O)O)Cl
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.1
CatalogNumber:
AA36287
ChemicalName:
4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid
CasNumber:
1261904-84-0
MolecularFormula:
C14H10ClFO3
MolecularWeight:
280.6788
MdlNumber:
MFCD18321620
Smiles:
COc1ccc(c(c1)c1ccc(cc1F)C(=O)O)Cl
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.1
CatalogNumber: AA36289
ChemicalName: 2-Formyl-5-(4-methylthiophenyl)phenol
CasNumber: 1261925-44-3
MolecularFormula: C14H12O2S
MolecularWeight: 244.3089
MdlNumber: MFCD18314725
Smiles: CSc1ccc(cc1)c1ccc(c(c1)O)C=O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA36289
ChemicalName:
2-Formyl-5-(4-methylthiophenyl)phenol
CasNumber:
1261925-44-3
MolecularFormula:
C14H12O2S
MolecularWeight:
244.3089
MdlNumber:
MFCD18314725
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)O)C=O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)c1ccc(cc1F)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)c1ccc(cc1F)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1