200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 159873-64-0
159873-64-0 | 1,3-Benzodioxole-5-methanol, α-methyl-6-nitro-
CAS No: 159873-64-0 Catalog No: AG001RGP MDL No:MFCD08274663
Product Description
Catalog Number:
AG001RGP
Chemical Name:
1,3-Benzodioxole-5-methanol, α-methyl-6-nitro-
CAS Number:
159873-64-0
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD08274663
IUPAC Name:
1-(6-nitro-1,3-benzodioxol-5-yl)ethanol
InChI:
InChI=1S/C9H9NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3,5,11H,4H2,1H3
InChI Key:
UHJMDARCOIYCHL-UHFFFAOYSA-N
SMILES:
CC(c1cc2OCOc2cc1[N+](=O)[O-])O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.