AB42718
6099-03-2 | 2-Methoxycinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42718
ChemicalName
2-Methoxycinnamic acid
CasNumber
6099-03-2
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00064238
Smiles
COc1ccccc1/C=C/C(=O)O
Complexity
198
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB42718
ChemicalName: 2-Methoxycinnamic acid
CasNumber: 6099-03-2
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00064238
Smiles: COc1ccccc1/C=C/C(=O)O
Complexity: 198
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB42718
ChemicalName:
2-Methoxycinnamic acid
CasNumber:
6099-03-2
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00064238
Smiles:
COc1ccccc1/C=C/C(=O)O
Complexity:
198
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AB42719
ChemicalName: 2-Methylbenzaldehyde
CasNumber: 529-20-4
MolecularFormula: C8H8O
MolecularWeight: 120.1485
MdlNumber: MFCD00003338
Smiles: O=Cc1ccccc1C
Complexity: 98.7
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB42719
ChemicalName:
2-Methylbenzaldehyde
CasNumber:
529-20-4
MolecularFormula:
C8H8O
MolecularWeight:
120.1485
MdlNumber:
MFCD00003338
Smiles:
O=Cc1ccccc1C
Complexity:
98.7
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccccc1C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(C(=O)O)C
Complexity: 129
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(C(=O)O)C
Complexity:
129
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2