AB78230
81-90-3 | Phenolphthalin
Manufacturer: A2B Chem
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CatalogNumber
AB78230
ChemicalName
Phenolphthalin
CasNumber
81-90-3
MolecularFormula
C20H16O4
MolecularWeight
320.3386
MdlNumber
MFCD00036135
Smiles
Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O
Complexity
386
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AB78230
ChemicalName: Phenolphthalin
CasNumber: 81-90-3
MolecularFormula: C20H16O4
MolecularWeight: 320.3386
MdlNumber: MFCD00036135
Smiles: Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AB78230
ChemicalName:
Phenolphthalin
CasNumber:
81-90-3
MolecularFormula:
C20H16O4
MolecularWeight:
320.3386
MdlNumber:
MFCD00036135
Smiles:
Oc1ccc(cc1)C(c1ccccc1C(=O)O)c1ccc(cc1)O
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(ON1C(=O)CCC1=O)COc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(ON1C(=O)CCC1=O)COc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB78232
ChemicalName: 1-Phenoxypropan-2-one
CasNumber: 621-87-4
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00008767
Smiles: CC(=O)COc1ccccc1
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
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
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: AB78233
ChemicalName: Phenoxyacetonitrile
CasNumber: 3598-14-9
MolecularFormula: C8H7NO
MolecularWeight: 133.1473
MdlNumber: MFCD00052017
Smiles: N#CCOc1ccccc1
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB78233
ChemicalName:
Phenoxyacetonitrile
CasNumber:
3598-14-9
MolecularFormula:
C8H7NO
MolecularWeight:
133.1473
MdlNumber:
MFCD00052017
Smiles:
N#CCOc1ccccc1
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1