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34549-69-4 | 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
CAS No: 34549-69-4 Catalog No: AG003HEU MDL No:MFCD00016640
Product Description
Catalog Number:
AG003HEU
Chemical Name:
2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
CAS Number:
34549-69-4
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00016640
IUPAC Name:
2-hydroxy-5-methoxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3
InChI Key:
CCHTVTHOPTTYSY-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1)[N+](=O)[O-])O
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:
1.4
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