AF67936
338994-68-6 | 4-[(2-Formylphenoxy)methyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF67936
ChemicalName
4-[(2-Formylphenoxy)methyl]benzoic acid
CasNumber
338994-68-6
MolecularFormula
C15H12O4
MolecularWeight
256.2534
MdlNumber
MFCD02604798
Smiles
O=Cc1ccccc1OCc1ccc(cc1)C(=O)O
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AF67936
ChemicalName: 4-[(2-Formylphenoxy)methyl]benzoic acid
CasNumber: 338994-68-6
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD02604798
Smiles: O=Cc1ccccc1OCc1ccc(cc1)C(=O)O
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AF67936
ChemicalName:
4-[(2-Formylphenoxy)methyl]benzoic acid
CasNumber:
338994-68-6
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD02604798
Smiles:
O=Cc1ccccc1OCc1ccc(cc1)C(=O)O
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(C(c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(C(c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1nc(nc(c1/N=N/c1ccccc1)N)c1nn(c2c1cccn2)Cc1ccccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(nc(c1/N=N/c1ccccc1)N)c1nn(c2c1cccn2)Cc1ccccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__