AB64136
6304-89-8 | 3-Acetoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64136
ChemicalName
3-Acetoxybenzoic acid
CasNumber
6304-89-8
MolecularFormula
C9H8O4
MolecularWeight
180.1574
MdlNumber
MFCD00016699
Smiles
CC(=O)Oc1cccc(c1)C(=O)O
NscNumber
43147
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB64136
ChemicalName: 3-Acetoxybenzoic acid
CasNumber: 6304-89-8
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD00016699
Smiles: CC(=O)Oc1cccc(c1)C(=O)O
NscNumber: 43147
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB64136
ChemicalName:
3-Acetoxybenzoic acid
CasNumber:
6304-89-8
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD00016699
Smiles:
CC(=O)Oc1cccc(c1)C(=O)O
NscNumber:
43147
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AB64137
ChemicalName: 3-Acetoxymethylphenylboronic acid, pinacol ester
CasNumber: 562098-07-1
MolecularFormula: C15H21BO4
MolecularWeight: 276.1358
MdlNumber: MFCD02179491
Smiles: CC(=O)OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB64137
ChemicalName:
3-Acetoxymethylphenylboronic acid, pinacol ester
CasNumber:
562098-07-1
MolecularFormula:
C15H21BO4
MolecularWeight:
276.1358
MdlNumber:
MFCD02179491
Smiles:
CC(=O)OCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1csc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1csc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ccc(c1)C(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1ccc(c1)C(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__