AB22162
2316-26-9 | 3,4-Dimethoxycinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB22162
ChemicalName
3,4-Dimethoxycinnamic acid
CasNumber
2316-26-9
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD00004387
Smiles
COc1cc(C=CC(=O)O)ccc1OC
Complexity
237
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AB22162
ChemicalName: 3,4-Dimethoxycinnamic acid
CasNumber: 2316-26-9
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD00004387
Smiles: COc1cc(C=CC(=O)O)ccc1OC
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AB22162
ChemicalName:
3,4-Dimethoxycinnamic acid
CasNumber:
2316-26-9
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD00004387
Smiles:
COc1cc(C=CC(=O)O)ccc1OC
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.8
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Smiles: CCCCCCC(C(Br)(F)F)(F)F
Complexity: __
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Smiles:
CCCCCCC(C(Br)(F)F)(F)F
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Smiles: O=C(n1nc(cc1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccccc1
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
O=C(n1nc(cc1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC(=O)n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__