AH13520
66907-52-6 | 3,4,5-Trimethoxy-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH13520
ChemicalName
3,4,5-Trimethoxy-2-nitrobenzoic acid
CasNumber
66907-52-6
MolecularFormula
C10H11NO7
MolecularWeight
257.1968
MdlNumber
MFCD00017005
Smiles
COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
NscNumber
100936
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AH13520
ChemicalName: 3,4,5-Trimethoxy-2-nitrobenzoic acid
CasNumber: 66907-52-6
MolecularFormula: C10H11NO7
MolecularWeight: 257.1968
MdlNumber: MFCD00017005
Smiles: COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
NscNumber: 100936
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AH13520
ChemicalName:
3,4,5-Trimethoxy-2-nitrobenzoic acid
CasNumber:
66907-52-6
MolecularFormula:
C10H11NO7
MolecularWeight:
257.1968
MdlNumber:
MFCD00017005
Smiles:
COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
NscNumber:
100936
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
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Smiles: O=Cc1cccc(c1)c1ccccc1F
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Smiles:
O=Cc1cccc(c1)c1ccccc1F
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Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@@H]3CC(C)(C)CC2)C(=O)O[C@H]2OC[C@H]([C@@H]([C@H]2O[C@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
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Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@@H]3CC(C)(C)CC2)C(=O)O[C@H]2OC[C@H]([C@@H]([C@H]2O[C@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: c1ccc(cc1)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc(cc1)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__