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Home > Nitro Compounds > 10310-02-8
10310-02-8 | 1,3-Benzodioxole, 5-methoxy-6-nitro-
CAS No: 10310-02-8 Catalog No: AG00H9YL MDL No:MFCD01659655
Product Description
Catalog Number:
AG00H9YL
Chemical Name:
1,3-Benzodioxole, 5-methoxy-6-nitro-
CAS Number:
10310-02-8
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD01659655
IUPAC Name:
5-methoxy-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C8H7NO5/c1-12-6-3-8-7(13-4-14-8)2-5(6)9(10)11/h2-3H,4H2,1H3
InChI Key:
PSDYVDORVSBOQW-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1[N+](=O)[O-]
NSC Number:
172290
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:
0
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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