Name: Name:7-CHLORO-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXYLIC ACID
Brand: Angene
SKU: AG01BJ49
Rating: 90 (10 reviews)

7-CHLORO-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXYLIC ACID

CAS No.:

890646-72-7

Catalog Number:

AG01BJ49

Molecular Formula:

C10H7ClO4

Molecular Weight:

226.6132

Catalog Number:

AG01BJ49

Chemical Name:

7-CHLORO-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-CARBOXYLIC ACID

CAS Number:

890646-72-7

Molecular Formula:

C10H7ClO4

Molecular Weight:

226.6132

MDL Number:

MFCD07802411

IUPAC Name:

7-chloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid

InChI:

InChI=1S/C10H7ClO4/c11-6-2-1-5-3-8(9(12)13)15-10(14)7(5)4-6/h1-2,4,8H,3H2,(H,12,13)

InChI Key:

UVKLQENEDYQPHW-UHFFFAOYSA-N

SMILES:

OC(=O)C1OC(=O)c2c(C1)ccc(c2)Cl

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.612g/mol

Monoisotopic Mass:

226.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1