AB22893
23359-08-2 | 4-Formylcinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB22893
ChemicalName
4-Formylcinnamic acid
CasNumber
23359-08-2
MolecularFormula
C10H8O3
MolecularWeight
176.1687
MdlNumber
MFCD00006955
Smiles
O=Cc1ccc(cc1)C=CC(=O)O
NscNumber
74480
Complexity
212
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AB22893
ChemicalName: 4-Formylcinnamic acid
CasNumber: 23359-08-2
MolecularFormula: C10H8O3
MolecularWeight: 176.1687
MdlNumber: MFCD00006955
Smiles: O=Cc1ccc(cc1)C=CC(=O)O
NscNumber: 74480
Complexity: 212
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB22893
ChemicalName:
4-Formylcinnamic acid
CasNumber:
23359-08-2
MolecularFormula:
C10H8O3
MolecularWeight:
176.1687
MdlNumber:
MFCD00006955
Smiles:
O=Cc1ccc(cc1)C=CC(=O)O
NscNumber:
74480
Complexity:
212
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
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Smiles: OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCO
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Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
OCCCCOC(=O)c1ccc(cc1)C(=O)OCCCCO
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Smiles: CC(=O)NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OC(C)(C)C
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Smiles:
CC(=O)NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OC(C)(C)C
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Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(OCC1c2ccccc2-c2c1cccc2)NCCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCC1c2ccccc2-c2c1cccc2)NCCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__