AI57101
85-38-1 | 3-Nitrosalicylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57101
ChemicalName
3-Nitrosalicylic acid
CasNumber
85-38-1
MolecularFormula
C7H5NO5
MolecularWeight
183.1183
MdlNumber
MFCD00024240
Smiles
OC(=O)c1cccc(c1O)[N+](=O)[O-]
NscNumber
182
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AI57101
ChemicalName: 3-Nitrosalicylic acid
CasNumber: 85-38-1
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD00024240
Smiles: OC(=O)c1cccc(c1O)[N+](=O)[O-]
NscNumber: 182
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI57101
ChemicalName:
3-Nitrosalicylic acid
CasNumber:
85-38-1
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD00024240
Smiles:
OC(=O)c1cccc(c1O)[N+](=O)[O-]
NscNumber:
182
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
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Smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1/N=N/c1ccccn1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1/N=N/c1ccccn1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__