AC63825
773130-43-1 | (2E)-3-[4-(methoxycarbonyl)-2-nitrophenyl]prop-2-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC63825
ChemicalName
(2E)-3-[4-(methoxycarbonyl)-2-nitrophenyl]prop-2-enoic acid
CasNumber
773130-43-1
MolecularFormula
C11H9NO6
MolecularWeight
251.1923
MdlNumber
MFCD06205491
Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])/C=C/C(=O)O
Complexity
372
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AC63825
ChemicalName: (2E)-3-[4-(methoxycarbonyl)-2-nitrophenyl]prop-2-enoic acid
CasNumber: 773130-43-1
MolecularFormula: C11H9NO6
MolecularWeight: 251.1923
MdlNumber: MFCD06205491
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])/C=C/C(=O)O
Complexity: 372
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AC63825
ChemicalName:
(2E)-3-[4-(methoxycarbonyl)-2-nitrophenyl]prop-2-enoic acid
CasNumber:
773130-43-1
MolecularFormula:
C11H9NO6
MolecularWeight:
251.1923
MdlNumber:
MFCD06205491
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])/C=C/C(=O)O
Complexity:
372
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
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Smiles: CC(C(O)C)OCc1ccccc1
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Smiles:
CC(C(O)C)OCc1ccccc1
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Smiles: COc1ccc(cc1Cl)C(CC(=O)O)N
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Smiles:
COc1ccc(cc1Cl)C(CC(=O)O)N
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Smiles: NC(c1cc(F)ccc1F)CC(=O)O
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NC(c1cc(F)ccc1F)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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