AB74710
104-53-0 | 3-Phenylpropionaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB74710
ChemicalName
3-Phenylpropionaldehyde
CasNumber
104-53-0
MolecularFormula
C9H10O
MolecularWeight
134.1751
MdlNumber
MFCD00007021
Smiles
O=CCCc1ccccc1
NscNumber
9271
Complexity
92.9
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AB74710
ChemicalName: 3-Phenylpropionaldehyde
CasNumber: 104-53-0
MolecularFormula: C9H10O
MolecularWeight: 134.1751
MdlNumber: MFCD00007021
Smiles: O=CCCc1ccccc1
NscNumber: 9271
Complexity: 92.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB74710
ChemicalName:
3-Phenylpropionaldehyde
CasNumber:
104-53-0
MolecularFormula:
C9H10O
MolecularWeight:
134.1751
MdlNumber:
MFCD00007021
Smiles:
O=CCCc1ccccc1
NscNumber:
9271
Complexity:
92.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AB74711
ChemicalName: 3-Phenylpropionic acid
CasNumber: 501-52-0
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00002771
Smiles: OC(=O)CCc1ccccc1
NscNumber: 9272
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB74711
ChemicalName:
3-Phenylpropionic acid
CasNumber:
501-52-0
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD00002771
Smiles:
OC(=O)CCc1ccccc1
NscNumber:
9272
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
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Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
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Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__