AI53789
619-89-6 | 4-Nitrocinnamic acid
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI53789
ChemicalName
4-Nitrocinnamic acid
CasNumber
619-89-6
MolecularFormula
C9H7NO4
MolecularWeight
193.15618000000003
MdlNumber
MFCD00007381
Smiles
OC(=O)C=Cc1ccc(cc1)N(=O)=O
Complexity
248
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
Related Products
Compare Similar Items
Show Difference
CatalogNumber: AI53789
ChemicalName: 4-Nitrocinnamic acid
CasNumber: 619-89-6
MolecularFormula: C9H7NO4
MolecularWeight: 193.15618000000003
MdlNumber: MFCD00007381
Smiles: OC(=O)C=Cc1ccc(cc1)N(=O)=O
Complexity: 248
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI53789
ChemicalName:
4-Nitrocinnamic acid
CasNumber:
619-89-6
MolecularFormula:
C9H7NO4
MolecularWeight:
193.15618000000003
MdlNumber:
MFCD00007381
Smiles:
OC(=O)C=Cc1ccc(cc1)N(=O)=O
Complexity:
248
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(CCOCC1)c1ccc(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1(CCOCC1)c1ccc(c(c1)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO/C=C/C(=O)Cl
Complexity: 98.6
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCO/C=C/C(=O)Cl
Complexity:
98.6
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)CSCc1ccc(cc1)C
Complexity: 373
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSCc1ccc(cc1)C
Complexity:
373
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1