AI52022
537-98-4 | Ferulic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52022
ChemicalName
Ferulic acid
CasNumber
537-98-4
MolecularFormula
C10H10O4
MolecularWeight
194.18400000000003
MdlNumber
MFCD00004400
Smiles
COc1cc(/C=C/C(=O)O)ccc1O
Complexity
224
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI52022
ChemicalName: Ferulic acid
CasNumber: 537-98-4
MolecularFormula: C10H10O4
MolecularWeight: 194.18400000000003
MdlNumber: MFCD00004400
Smiles: COc1cc(/C=C/C(=O)O)ccc1O
Complexity: 224
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI52022
ChemicalName:
Ferulic acid
CasNumber:
537-98-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.18400000000003
MdlNumber:
MFCD00004400
Smiles:
COc1cc(/C=C/C(=O)O)ccc1O
Complexity:
224
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AI52023
ChemicalName: 4-Bromo-2,6-difluorobenzaldehyde
CasNumber: 537013-51-7
MolecularFormula: C7H3BrF2O
MolecularWeight: 220.9989
MdlNumber: MFCD03094459
Smiles: O=Cc1c(F)cc(cc1F)Br
Complexity: 141
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI52023
ChemicalName:
4-Bromo-2,6-difluorobenzaldehyde
CasNumber:
537013-51-7
MolecularFormula:
C7H3BrF2O
MolecularWeight:
220.9989
MdlNumber:
MFCD03094459
Smiles:
O=Cc1c(F)cc(cc1F)Br
Complexity:
141
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)oc(n2)c1cccc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)oc(n2)c1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1c(F)cc(c(c1F)F)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1c(F)cc(c(c1F)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__