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Home > Nitro Compounds > 51068-95-2
51068-95-2 | 4-Methoxy-6-nitro-1,3-benzodioxole
CAS No: 51068-95-2 Catalog No: AG00JB4G MDL No:MFCD00099414
Product Description
Catalog Number:
AG00JB4G
Chemical Name:
4-Methoxy-6-nitro-1,3-benzodioxole
CAS Number:
51068-95-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00099414
IUPAC Name:
4-methoxy-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C8H7NO5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3
InChI Key:
CNVWHJAWPZWPCW-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1OCO2)[N+](=O)[O-]
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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