AB10987
1896-62-4 | (E)-4-Phenylbut-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB10987
ChemicalName
(E)-4-Phenylbut-3-en-2-one
CasNumber
1896-62-4
MolecularFormula
C10H10O
MolecularWeight
146.1858
MdlNumber
MFCD21606919
Smiles
CC(=O)/C=C/c1ccccc1
NscNumber
5605
Complexity
152
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB10987
ChemicalName: (E)-4-Phenylbut-3-en-2-one
CasNumber: 1896-62-4
MolecularFormula: C10H10O
MolecularWeight: 146.1858
MdlNumber: MFCD21606919
Smiles: CC(=O)/C=C/c1ccccc1
NscNumber: 5605
Complexity: 152
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB10987
ChemicalName:
(E)-4-Phenylbut-3-en-2-one
CasNumber:
1896-62-4
MolecularFormula:
C10H10O
MolecularWeight:
146.1858
MdlNumber:
MFCD21606919
Smiles:
CC(=O)/C=C/c1ccccc1
NscNumber:
5605
Complexity:
152
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1ccccc1)CNC(=O)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1ccccc1)CNC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1cc(cc(c1)C#C)c1cc(C#C)cc(c1)C#C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1cc(cc(c1)C#C)c1cc(C#C)cc(c1)C#C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)OCC1CCNCC1
NscNumber: __
Complexity: 175
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)OCC1CCNCC1
NscNumber:
__
Complexity:
175
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9