AB44329
93-07-2 | 3,4-Dimethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44329
ChemicalName
3,4-Dimethoxybenzoic acid
CasNumber
93-07-2
MolecularFormula
C9H10O4
MolecularWeight
182.1733
MdlNumber
MFCD00002500
Smiles
COc1cc(ccc1OC)C(=O)O
NscNumber
7721
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB44329
ChemicalName: 3,4-Dimethoxybenzoic acid
CasNumber: 93-07-2
MolecularFormula: C9H10O4
MolecularWeight: 182.1733
MdlNumber: MFCD00002500
Smiles: COc1cc(ccc1OC)C(=O)O
NscNumber: 7721
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB44329
ChemicalName:
3,4-Dimethoxybenzoic acid
CasNumber:
93-07-2
MolecularFormula:
C9H10O4
MolecularWeight:
182.1733
MdlNumber:
MFCD00002500
Smiles:
COc1cc(ccc1OC)C(=O)O
NscNumber:
7721
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB44330
ChemicalName: 3',4'-Dimethylacetophenone
CasNumber: 3637-01-2
MolecularFormula: C10H12O
MolecularWeight: 148.20168
MdlNumber: MFCD00008743
Smiles: CC(=O)c1ccc(c(c1)C)C
NscNumber: __
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB44330
ChemicalName:
3',4'-Dimethylacetophenone
CasNumber:
3637-01-2
MolecularFormula:
C10H12O
MolecularWeight:
148.20168
MdlNumber:
MFCD00008743
Smiles:
CC(=O)c1ccc(c(c1)C)C
NscNumber:
__
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)C)C
NscNumber: __
Complexity: 154
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)C)C
NscNumber:
__
Complexity:
154
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7