AI62216
93-54-9 | 1-Phenyl-1-propanol
Manufacturer: A2B Chem
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CatalogNumber
AI62216
ChemicalName
1-Phenyl-1-propanol
CasNumber
93-54-9
MolecularFormula
C9H12O
MolecularWeight
136.1910
MdlNumber
MFCD00004564
Smiles
CCC(C1=CC=CC=C1)O
Complexity
84.7
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AI62216
ChemicalName: 1-Phenyl-1-propanol
CasNumber: 93-54-9
MolecularFormula: C9H12O
MolecularWeight: 136.1910
MdlNumber: MFCD00004564
Smiles: CCC(C1=CC=CC=C1)O
Complexity: 84.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AI62216
ChemicalName:
1-Phenyl-1-propanol
CasNumber:
93-54-9
MolecularFormula:
C9H12O
MolecularWeight:
136.1910
MdlNumber:
MFCD00004564
Smiles:
CCC(C1=CC=CC=C1)O
Complexity:
84.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AI62217
ChemicalName: 1-Phenyl-1,2-ethanediol
CasNumber: 93-56-1
MolecularFormula: C8H10O2
MolecularWeight: 138.1638
MdlNumber: MFCD00003546
Smiles: OCC(c1ccccc1)O
Complexity: 87.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AI62217
ChemicalName:
1-Phenyl-1,2-ethanediol
CasNumber:
93-56-1
MolecularFormula:
C8H10O2
MolecularWeight:
138.1638
MdlNumber:
MFCD00003546
Smiles:
OCC(c1ccccc1)O
Complexity:
87.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1
Complexity: 114
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1
Complexity:
114
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(CC(=O)O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(CC(=O)O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__