AA39058
13031-43-1 | 4-Acetylphenyl acetate
Manufacturer: A2B Chem
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CatalogNumber
AA39058
ChemicalName
4-Acetylphenyl acetate
CasNumber
13031-43-1
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00017229
Smiles
CC(=O)Oc1ccc(cc1)C(=O)C
NscNumber
41974
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AA39058
ChemicalName: 4-Acetylphenyl acetate
CasNumber: 13031-43-1
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00017229
Smiles: CC(=O)Oc1ccc(cc1)C(=O)C
NscNumber: 41974
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AA39058
ChemicalName:
4-Acetylphenyl acetate
CasNumber:
13031-43-1
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00017229
Smiles:
CC(=O)Oc1ccc(cc1)C(=O)C
NscNumber:
41974
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Oc1cccc(c1)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Oc1cccc(c1)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA39060
ChemicalName: Dihydro-4,4-dimethyl-2,3-furandione
CasNumber: 13031-04-4
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD00012331
Smiles: O=C1C(=O)OCC1(C)C
NscNumber: __
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AA39060
ChemicalName:
Dihydro-4,4-dimethyl-2,3-furandione
CasNumber:
13031-04-4
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD00012331
Smiles:
O=C1C(=O)OCC1(C)C
NscNumber:
__
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(n1)c1nc2c([nH]1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(n1)c1nc2c([nH]1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__