AB65302
80866-76-8 | 3-Methyl-2-nitrobenzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AB65302
ChemicalName
3-Methyl-2-nitrobenzyl alcohol
CasNumber
80866-76-8
MolecularFormula
C8H9NO3
MolecularWeight
167.16196000000002
MdlNumber
MFCD00007182
Smiles
OCc1cccc(c1[N+](=O)[O-])C
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB65302
ChemicalName: 3-Methyl-2-nitrobenzyl alcohol
CasNumber: 80866-76-8
MolecularFormula: C8H9NO3
MolecularWeight: 167.16196000000002
MdlNumber: MFCD00007182
Smiles: OCc1cccc(c1[N+](=O)[O-])C
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB65302
ChemicalName:
3-Methyl-2-nitrobenzyl alcohol
CasNumber:
80866-76-8
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16196000000002
MdlNumber:
MFCD00007182
Smiles:
OCc1cccc(c1[N+](=O)[O-])C
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB65303
ChemicalName: 3-Methyl-2-oxovaleric acid
CasNumber: 1460-34-0
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00002582
Smiles: CC(C(=O)C(=O)O)CC
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB65303
ChemicalName:
3-Methyl-2-oxovaleric acid
CasNumber:
1460-34-0
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00002582
Smiles:
CC(C(=O)C(=O)O)CC
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-]C(=O)C(=O)C(CC)C.[Na+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
[O-]C(=O)C(=O)C(CC)C.[Na+]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C(O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCC(C(O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__