AB62337
7310-95-4 | 2-Hydroxy-5-methylisophthalaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB62337
ChemicalName
2-Hydroxy-5-methylisophthalaldehyde
CasNumber
7310-95-4
MolecularFormula
C9H8O3
MolecularWeight
164.158
MdlNumber
MFCD00016596
Smiles
O=Cc1cc(C)cc(c1O)C=O
NscNumber
243727
Complexity
161
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB62337
ChemicalName: 2-Hydroxy-5-methylisophthalaldehyde
CasNumber: 7310-95-4
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00016596
Smiles: O=Cc1cc(C)cc(c1O)C=O
NscNumber: 243727
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB62337
ChemicalName:
2-Hydroxy-5-methylisophthalaldehyde
CasNumber:
7310-95-4
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00016596
Smiles:
O=Cc1cc(C)cc(c1O)C=O
NscNumber:
243727
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB62338
ChemicalName: 2-Hydroxy-4-methyl-5-nitropyridine
CasNumber: 21901-41-7
MolecularFormula: C6H6N2O3
MolecularWeight: 154.1234
MdlNumber: MFCD00010690
Smiles: [O-][N+](=O)c1cnc(cc1C)O
NscNumber: 402987
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
AB62338
ChemicalName:
2-Hydroxy-4-methyl-5-nitropyridine
CasNumber:
21901-41-7
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.1234
MdlNumber:
MFCD00010690
Smiles:
[O-][N+](=O)c1cnc(cc1C)O
NscNumber:
402987
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: AB62339
ChemicalName: 5-Nitro-2(1h)-pyridinone
CasNumber: 5418-51-9
MolecularFormula: C5H4N2O3
MolecularWeight: 140.09686
MdlNumber: MFCD00006276
Smiles: O=N(=O)c1ccc(=O)[nH]c1
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AB62339
ChemicalName:
5-Nitro-2(1h)-pyridinone
CasNumber:
5418-51-9
MolecularFormula:
C5H4N2O3
MolecularWeight:
140.09686
MdlNumber:
MFCD00006276
Smiles:
O=N(=O)c1ccc(=O)[nH]c1
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(ccc(c1O)C)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(ccc(c1O)C)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__