AC82274
6742-25-2 | Ethyl 1-oxo-2,3-dihydro-1h-indene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC82274
ChemicalName
Ethyl 1-oxo-2,3-dihydro-1h-indene-2-carboxylate
CasNumber
6742-25-2
MolecularFormula
C12H12O3
MolecularWeight
204.22188000000006
MdlNumber
MFCD11976256
Smiles
CCOC(=O)C1Cc2c(C1=O)cccc2
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AC82274
ChemicalName: Ethyl 1-oxo-2,3-dihydro-1h-indene-2-carboxylate
CasNumber: 6742-25-2
MolecularFormula: C12H12O3
MolecularWeight: 204.22188000000006
MdlNumber: MFCD11976256
Smiles: CCOC(=O)C1Cc2c(C1=O)cccc2
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AC82274
ChemicalName:
Ethyl 1-oxo-2,3-dihydro-1h-indene-2-carboxylate
CasNumber:
6742-25-2
MolecularFormula:
C12H12O3
MolecularWeight:
204.22188000000006
MdlNumber:
MFCD11976256
Smiles:
CCOC(=O)C1Cc2c(C1=O)cccc2
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
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Smiles: [O-][N+](=O)c1cc(ccc1Oc1ccc(=O)n(n1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
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Smiles:
[O-][N+](=O)c1cc(ccc1Oc1ccc(=O)n(n1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Nc1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O
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Smiles:
Nc1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C([C@H]1NC1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C([C@H]1NC1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__