Name: Name:(7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
Brand: Angene
SKU: AG01C3SM
Rating: 90 (10 reviews)

(7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol

CAS No.:

59987-31-4

Catalog Number:

AG01C3SM

Molecular Formula:

C9H9NO5

Molecular Weight:

211.1715

Catalog Number:

AG01C3SM

Chemical Name:

(7-nitro-2,3-dihydro-1,4-benzodioxin-2-yl)methanol

CAS Number:

59987-31-4

Molecular Formula:

C9H9NO5

Molecular Weight:

211.1715

MDL Number:

MFCD15146318

IUPAC Name:

(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol

InChI:

InChI=1S/C9H9NO5/c11-4-7-5-14-8-2-1-6(10(12)13)3-9(8)15-7/h1-3,7,11H,4-5H2

InChI Key:

OTKMWYJAIRWTNV-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc2OC(CO)COc2cc1

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.173g/mol

Monoisotopic Mass:

211.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8