AB65662
19675-63-9 | 4-Carboxycinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65662
ChemicalName
4-Carboxycinnamic acid
CasNumber
19675-63-9
MolecularFormula
C10H8O4
MolecularWeight
192.1681
MdlNumber
MFCD00016543
Smiles
OC(=O)/C=C/c1ccc(cc1)C(=O)O
Complexity
249
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AB65662
ChemicalName: 4-Carboxycinnamic acid
CasNumber: 19675-63-9
MolecularFormula: C10H8O4
MolecularWeight: 192.1681
MdlNumber: MFCD00016543
Smiles: OC(=O)/C=C/c1ccc(cc1)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB65662
ChemicalName:
4-Carboxycinnamic acid
CasNumber:
19675-63-9
MolecularFormula:
C10H8O4
MolecularWeight:
192.1681
MdlNumber:
MFCD00016543
Smiles:
OC(=O)/C=C/c1ccc(cc1)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1OC1CCNCC1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1OC1CCNCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65665
ChemicalName: 4-(2-Chloroacetamido)benzoic acid
CasNumber: 4596-39-8
MolecularFormula: C9H8ClNO3
MolecularWeight: 213.6177
MdlNumber: MFCD00239393
Smiles: ClCC(=O)Nc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB65665
ChemicalName:
4-(2-Chloroacetamido)benzoic acid
CasNumber:
4596-39-8
MolecularFormula:
C9H8ClNO3
MolecularWeight:
213.6177
MdlNumber:
MFCD00239393
Smiles:
ClCC(=O)Nc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__