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2426-86-0 | Benzaldehyde, 2-hydroxy-3-methoxy-6-nitro-
CAS No: 2426-86-0 Catalog No: AG007NUL MDL No:
Product Description
Catalog Number:
AG007NUL
Chemical Name:
Benzaldehyde, 2-hydroxy-3-methoxy-6-nitro-
CAS Number:
2426-86-0
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
IUPAC Name:
2-hydroxy-3-methoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-7-3-2-6(9(12)13)5(4-10)8(7)11/h2-4,11H,1H3
InChI Key:
LPUYRRFGCOZEEK-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)c(OC)ccc1[N+](=O)[O-]
NSC Number:
95688
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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