Name: Name:2,2-dimethyl-5-nitro-2H-1,3-benzodioxole
Brand: Angene
SKU: AG01AC4C
Rating: 90 (10 reviews)

2,2-dimethyl-5-nitro-2H-1,3-benzodioxole

CAS No.:

54186-68-4

Catalog Number:

AG01AC4C

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

Catalog Number:

AG01AC4C

Chemical Name:

2,2-dimethyl-5-nitro-2H-1,3-benzodioxole

CAS Number:

54186-68-4

Molecular Formula:

C9H9NO4

Molecular Weight:

195.1721

MDL Number:

MFCD01463447

IUPAC Name:

2,2-dimethyl-5-nitro-1,3-benzodioxole

InChI:

InChI=1S/C9H9NO4/c1-9(2)13-7-4-3-6(10(11)12)5-8(7)14-9/h3-5H,1-2H3

InChI Key:

XCEHELWIDYNWCU-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)OC(O2)(C)C

NSC Number:

31146

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.174g/mol

Monoisotopic Mass:

195.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2