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Home > Nitro Compounds > 97398-65-7
97398-65-7 | 7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-ol
CAS No: 97398-65-7 Catalog No: AG01BKEX MDL No:MFCD19374207
Product Description
Catalog Number:
AG01BKEX
Chemical Name:
7-nitro-2,3-dihydrobenzo[b][1,4]dioxin-6-ol
CAS Number:
97398-65-7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD19374207
IUPAC Name:
7-nitro-2,3-dihydro-1,4-benzodioxin-6-ol
InChI:
InChI=1S/C8H7NO5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2
InChI Key:
LRHFGBDYKMSVMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1O
Properties
Complexity:
228
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:
0
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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