AH03632
637-57-0 | Methyl trans-3-(4-nitrophenyl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AH03632
ChemicalName
Methyl trans-3-(4-nitrophenyl)prop-2-enoate
CasNumber
637-57-0
MolecularFormula
C10H9NO4
MolecularWeight
207.1828
MdlNumber
MFCD00136874
Smiles
COC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber
1323
Complexity
261
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AH03632
ChemicalName: Methyl trans-3-(4-nitrophenyl)prop-2-enoate
CasNumber: 637-57-0
MolecularFormula: C10H9NO4
MolecularWeight: 207.1828
MdlNumber: MFCD00136874
Smiles: COC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber: 1323
Complexity: 261
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AH03632
ChemicalName:
Methyl trans-3-(4-nitrophenyl)prop-2-enoate
CasNumber:
637-57-0
MolecularFormula:
C10H9NO4
MolecularWeight:
207.1828
MdlNumber:
MFCD00136874
Smiles:
COC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
NscNumber:
1323
Complexity:
261
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
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Smiles: OCc1cc2cc(Oc3cccc4c3ncc(c4)Cl)c(cc2c(c1)Cl)O
NscNumber: __
Complexity: __
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Smiles:
OCc1cc2cc(Oc3cccc4c3ncc(c4)Cl)c(cc2c(c1)Cl)O
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Complexity:
__
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RotatableBondCount:
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Smiles: Cn1cncc1CCN
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Smiles:
Cn1cncc1CCN
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC[C@H]1O[C@@H](OC[C@@H]2C=CC(=O)O2)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](OC[C@@H]2C=CC(=O)O2)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__