AI50584
4481-27-0 | 3-Formyl-5-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI50584
ChemicalName
3-Formyl-5-methylbenzoic acid
CasNumber
4481-27-0
MolecularFormula
C9H8O3
MolecularWeight
164.15802
MdlNumber
MFCD20645804
Smiles
O=Cc1cc(C)cc(c1)C(=O)O
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AI50584
ChemicalName: 3-Formyl-5-methylbenzoic acid
CasNumber: 4481-27-0
MolecularFormula: C9H8O3
MolecularWeight: 164.15802
MdlNumber: MFCD20645804
Smiles: O=Cc1cc(C)cc(c1)C(=O)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AI50584
ChemicalName:
3-Formyl-5-methylbenzoic acid
CasNumber:
4481-27-0
MolecularFormula:
C9H8O3
MolecularWeight:
164.15802
MdlNumber:
MFCD20645804
Smiles:
O=Cc1cc(C)cc(c1)C(=O)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C(/B1OC(C(O1)(C)C)(C)C)C
Complexity: 317
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C(/B1OC(C(O1)(C)C)(C)C)C
Complexity:
317
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)Nc1scc(n1)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)Nc1scc(n1)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)OC)c(C)n[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)OC)c(C)n[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__