AB67631
4046-02-0 | Ferulic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB67631
ChemicalName
Ferulic acid ethyl ester
CasNumber
4046-02-0
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD00009190
Smiles
CCOC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber
14879
Complexity
249
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AB67631
ChemicalName: Ferulic acid ethyl ester
CasNumber: 4046-02-0
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD00009190
Smiles: CCOC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber: 14879
Complexity: 249
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AB67631
ChemicalName:
Ferulic acid ethyl ester
CasNumber:
4046-02-0
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD00009190
Smiles:
CCOC(=O)C=Cc1ccc(c(c1)OC)O
NscNumber:
14879
Complexity:
249
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: AB67632
ChemicalName: 4-Hydroxy-3-methoxyphenylacetonitrile
CasNumber: 4468-59-1
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD00001920
Smiles: N#CCc1ccc(c(c1)OC)O
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB67632
ChemicalName:
4-Hydroxy-3-methoxyphenylacetonitrile
CasNumber:
4468-59-1
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD00001920
Smiles:
N#CCc1ccc(c(c1)OC)O
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1O)CC(=O)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1O)CC(=O)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)C)CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)C)CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__