AD20948
5081-36-7 | 3-Methoxy-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD20948
ChemicalName
3-Methoxy-4-nitrobenzoic acid
CasNumber
5081-36-7
MolecularFormula
C8H7NO5
MolecularWeight
197.1449
MdlNumber
MFCD00007353
Smiles
COc1cc(ccc1[N+](=O)[O-])C(=O)O
NscNumber
148471
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AD20948
ChemicalName: 3-Methoxy-4-nitrobenzoic acid
CasNumber: 5081-36-7
MolecularFormula: C8H7NO5
MolecularWeight: 197.1449
MdlNumber: MFCD00007353
Smiles: COc1cc(ccc1[N+](=O)[O-])C(=O)O
NscNumber: 148471
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD20948
ChemicalName:
3-Methoxy-4-nitrobenzoic acid
CasNumber:
5081-36-7
MolecularFormula:
C8H7NO5
MolecularWeight:
197.1449
MdlNumber:
MFCD00007353
Smiles:
COc1cc(ccc1[N+](=O)[O-])C(=O)O
NscNumber:
148471
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
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Smiles: CCOC(=O)c1ccc(cc1)Oc1ccc(cc1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1ccc(cc1)Oc1ccc(cc1)OC
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCCCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)CCCCCCCC
NscNumber: __
Complexity: __
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Smiles:
CCCCCCCC[Sn](SCCC(=O)OCCCCCC(C)C)(SCCC(=O)OCCCCCC(C)C)CCCCCCCC
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NNC(=O)C(=O)Nc1ccc(cc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NNC(=O)C(=O)Nc1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__