AB78232
621-87-4 | 1-Phenoxypropan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB78232
ChemicalName
1-Phenoxypropan-2-one
CasNumber
621-87-4
MolecularFormula
C9H10O2
MolecularWeight
150.1745
MdlNumber
MFCD00008767
Smiles
CC(=O)COc1ccccc1
NscNumber
1876
Complexity
126
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AB78232
ChemicalName: 1-Phenoxypropan-2-one
CasNumber: 621-87-4
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00008767
Smiles: CC(=O)COc1ccccc1
NscNumber: 1876
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB78232
ChemicalName:
1-Phenoxypropan-2-one
CasNumber:
621-87-4
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD00008767
Smiles:
CC(=O)COc1ccccc1
NscNumber:
1876
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: AB78233
ChemicalName: Phenoxyacetonitrile
CasNumber: 3598-14-9
MolecularFormula: C8H7NO
MolecularWeight: 133.1473
MdlNumber: MFCD00052017
Smiles: N#CCOc1ccccc1
NscNumber: 49354
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB78233
ChemicalName:
Phenoxyacetonitrile
CasNumber:
3598-14-9
MolecularFormula:
C8H7NO
MolecularWeight:
133.1473
MdlNumber:
MFCD00052017
Smiles:
N#CCOc1ccccc1
NscNumber:
49354
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)COc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)COc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)OP(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 245
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)OP(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
245
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.9