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2450-26-2 | Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-
CAS No: 2450-26-2 Catalog No: AG002OD2 MDL No:MFCD00017020
Product Description
Catalog Number:
AG002OD2
Chemical Name:
Benzaldehyde, 4-hydroxy-3-methoxy-2-nitro-
CAS Number:
2450-26-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00017020
IUPAC Name:
4-hydroxy-3-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-8-6(11)3-2-5(4-10)7(8)9(12)13/h2-4,11H,1H3
InChI Key:
PHCNQUJHXJQLQR-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc(c1[N+](=O)[O-])C=O
NSC Number:
95689
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| (E)-4-[(3,5-Dimethyl-phen-yl)imino-meth-yl]-2-meth-oxy-3-nitro-phenol. | Acta crystallographica. Section E, Structure reports online 20120101 |
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