AB52207
27883-60-9 | 4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB52207
ChemicalName
4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
CasNumber
27883-60-9
MolecularFormula
C9H9NO6
MolecularWeight
227.1709
MdlNumber
MFCD09833001
Smiles
COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])O
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AB52207
ChemicalName: 4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
CasNumber: 27883-60-9
MolecularFormula: C9H9NO6
MolecularWeight: 227.1709
MdlNumber: MFCD09833001
Smiles: COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB52207
ChemicalName:
4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
CasNumber:
27883-60-9
MolecularFormula:
C9H9NO6
MolecularWeight:
227.1709
MdlNumber:
MFCD09833001
Smiles:
COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity: 451
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity:
451
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AB52209
ChemicalName: Pravastatin sodium
CasNumber: 81131-70-6
MolecularFormula: C23H35NaO7
MolecularWeight: 446.5096
MdlNumber: MFCD18253021
Smiles: CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52209
ChemicalName:
Pravastatin sodium
CasNumber:
81131-70-6
MolecularFormula:
C23H35NaO7
MolecularWeight:
446.5096
MdlNumber:
MFCD18253021
Smiles:
CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52210
ChemicalName: 2-Amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
CasNumber: 961-07-9
MolecularFormula: C10H13N5O4
MolecularWeight: 267.2413
MdlNumber: MFCD00150760
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(N)nc2=O
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AB52210
ChemicalName:
2-Amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
CasNumber:
961-07-9
MolecularFormula:
C10H13N5O4
MolecularWeight:
267.2413
MdlNumber:
MFCD00150760
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(N)nc2=O
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.9