Name: Name:1,4-Benzodioxin-5-carboxylic acid, 7-cyano-2,3-dihydro-
Brand: Angene
SKU: AG005EGC
Rating: 90 (10 reviews)

1,4-Benzodioxin-5-carboxylic acid, 7-cyano-2,3-dihydro-

CAS No.:

823225-70-3

Catalog Number:

AG005EGC

Molecular Formula:

C10H7NO4

Molecular Weight:

205.1669

Catalog Number:

AG005EGC

Chemical Name:

1,4-Benzodioxin-5-carboxylic acid, 7-cyano-2,3-dihydro-

CAS Number:

823225-70-3

Molecular Formula:

C10H7NO4

Molecular Weight:

205.1669

MDL Number:

MFCD24483827

IUPAC Name:

7-cyano-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

InChI:

InChI=1S/C10H7NO4/c11-5-6-3-7(10(12)13)9-8(4-6)14-1-2-15-9/h3-4H,1-2H2,(H,12,13)

InChI Key:

QPLDPOAHODHBEP-UHFFFAOYSA-N

SMILES:

N#Cc1cc2OCCOc2c(c1)C(=O)O

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.169g/mol

Monoisotopic Mass:

205.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9