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80547-69-9 | 3-Hydroxy-4-methoxy-5-nitrobenzaldehyde
CAS No: 80547-69-9 Catalog No: AG005KMI MDL No:MFCD02380161
Product Description
Catalog Number:
AG005KMI
Chemical Name:
3-Hydroxy-4-methoxy-5-nitrobenzaldehyde
CAS Number:
80547-69-9
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD02380161
IUPAC Name:
3-hydroxy-4-methoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-4,11H,1H3
InChI Key:
PYLFOUFNUBQBGP-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(cc1[N+](=O)[O-])C=O
NSC Number:
5400
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
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