AB67625
6635-20-7 | 5-Nitrovanillin
Manufacturer: A2B Chem
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CatalogNumber
AB67625
ChemicalName
5-Nitrovanillin
CasNumber
6635-20-7
MolecularFormula
C8H7NO5
MolecularWeight
197.1449
MdlNumber
MFCD00007118
Smiles
O=Cc1cc(OC)c(c(c1)N(=O)=O)O
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB67625
ChemicalName: 5-Nitrovanillin
CasNumber: 6635-20-7
MolecularFormula: C8H7NO5
MolecularWeight: 197.1449
MdlNumber: MFCD00007118
Smiles: O=Cc1cc(OC)c(c(c1)N(=O)=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB67625
ChemicalName:
5-Nitrovanillin
CasNumber:
6635-20-7
MolecularFormula:
C8H7NO5
MolecularWeight:
197.1449
MdlNumber:
MFCD00007118
Smiles:
O=Cc1cc(OC)c(c(c1)N(=O)=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB67626
ChemicalName: Vanillic acid
CasNumber: 121-34-6
MolecularFormula: C8H8O4
MolecularWeight: 168.14672000000002
MdlNumber: MFCD00002551
Smiles: COc1cc(ccc1O)C(=O)O
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB67626
ChemicalName:
Vanillic acid
CasNumber:
121-34-6
MolecularFormula:
C8H8O4
MolecularWeight:
168.14672000000002
MdlNumber:
MFCD00002551
Smiles:
COc1cc(ccc1O)C(=O)O
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C#N)ccc1O
Complexity: 172
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C#N)ccc1O
Complexity:
172
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AB67628
ChemicalName: 4-Hydroxy-3-methoxybenzyl alcohol
CasNumber: 498-00-0
MolecularFormula: C8H10O3
MolecularWeight: 154.1632
MdlNumber: MFCD00004659
Smiles: COc1cc(CO)ccc1O
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB67628
ChemicalName:
4-Hydroxy-3-methoxybenzyl alcohol
CasNumber:
498-00-0
MolecularFormula:
C8H10O3
MolecularWeight:
154.1632
MdlNumber:
MFCD00004659
Smiles:
COc1cc(CO)ccc1O
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__