AD50060
3123-46-4 | 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD50060
ChemicalName
4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CasNumber
3123-46-4
MolecularFormula
C11H10O3
MolecularWeight
190.1953
MdlNumber
MFCD00177946
Smiles
OC(=O)C1CCC(=O)c2c1cccc2
NscNumber
75928
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AD50060
ChemicalName: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CasNumber: 3123-46-4
MolecularFormula: C11H10O3
MolecularWeight: 190.1953
MdlNumber: MFCD00177946
Smiles: OC(=O)C1CCC(=O)c2c1cccc2
NscNumber: 75928
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AD50060
ChemicalName:
4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CasNumber:
3123-46-4
MolecularFormula:
C11H10O3
MolecularWeight:
190.1953
MdlNumber:
MFCD00177946
Smiles:
OC(=O)C1CCC(=O)c2c1cccc2
NscNumber:
75928
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
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Smiles: N#CCc1cccc(n1)C(=O)O
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N#CCc1cccc(n1)C(=O)O
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Smiles: ClCc1nccc(c1)[N+](=O)[O-]
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ClCc1nccc(c1)[N+](=O)[O-]
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Smiles: OCC(C(=O)c1ccc(cc1)[N+](=O)[O-])NC(=O)C
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MolecularWeight:
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Smiles:
OCC(C(=O)c1ccc(cc1)[N+](=O)[O-])NC(=O)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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