AC79086
7345-82-6 | (E)-3-(2,3-Dimethoxyphenyl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC79086
ChemicalName
(E)-3-(2,3-Dimethoxyphenyl)acrylic acid
CasNumber
7345-82-6
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD00004376
Smiles
COc1c(/C=C/C(=O)O)cccc1OC
NscNumber
235795
Complexity
237
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AC79086
ChemicalName: (E)-3-(2,3-Dimethoxyphenyl)acrylic acid
CasNumber: 7345-82-6
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD00004376
Smiles: COc1c(/C=C/C(=O)O)cccc1OC
NscNumber: 235795
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AC79086
ChemicalName:
(E)-3-(2,3-Dimethoxyphenyl)acrylic acid
CasNumber:
7345-82-6
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD00004376
Smiles:
COc1c(/C=C/C(=O)O)cccc1OC
NscNumber:
235795
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.8
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Smiles: OC(=O)C1(N)CC1(F)F
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OC(=O)C1(N)CC1(F)F
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Smiles: Fc1ccc2c(c1)ncc(c2)C(=O)O
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Smiles:
Fc1ccc2c(c1)ncc(c2)C(=O)O
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Smiles: [N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
NscNumber: __
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=N[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__