AI53573
6093-72-7 | Ethyl 7-methoxy-2-oxochromene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI53573
ChemicalName
Ethyl 7-methoxy-2-oxochromene-3-carboxylate
CasNumber
6093-72-7
MolecularFormula
C13H12O5
MolecularWeight
248.2314
MdlNumber
MFCD00598298
Smiles
CCOC(=O)c1cc2ccc(cc2oc1=O)OC
Complexity
374
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AI53573
ChemicalName: Ethyl 7-methoxy-2-oxochromene-3-carboxylate
CasNumber: 6093-72-7
MolecularFormula: C13H12O5
MolecularWeight: 248.2314
MdlNumber: MFCD00598298
Smiles: CCOC(=O)c1cc2ccc(cc2oc1=O)OC
Complexity: 374
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AI53573
ChemicalName:
Ethyl 7-methoxy-2-oxochromene-3-carboxylate
CasNumber:
6093-72-7
MolecularFormula:
C13H12O5
MolecularWeight:
248.2314
MdlNumber:
MFCD00598298
Smiles:
CCOC(=O)c1cc2ccc(cc2oc1=O)OC
Complexity:
374
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: O=C(N(c1ccccc1)C)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(N(c1ccccc1)C)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n1cnc2c1nc(N)[nH]c2=O
Complexity: __
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MolecularFormula:
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Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n1cnc2c1nc(N)[nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: N#CSCC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CSCC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__