Name: Name:3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid
Brand: Angene
SKU: AG01C0HK
Rating: 90 (10 reviews)

3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid

CAS No.:

255841-48-6

Catalog Number:

AG01C0HK

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

Catalog Number:

AG01C0HK

Chemical Name:

3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid

CAS Number:

255841-48-6

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

MDL Number:

MFCD31380793

IUPAC Name:

3,3-dimethyl-1-oxo-4H-isochromene-4-carboxylic acid

InChI:

InChI=1S/C12H12O4/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11(15)16-12/h3-6,9H,1-2H3,(H,13,14)

InChI Key:

XVVUENMKBOOKHM-UHFFFAOYSA-N

SMILES:

OC(=O)C1c2ccccc2C(=O)OC1(C)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.224g/mol

Monoisotopic Mass:

220.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7