Name: Name:3,4-Dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-5-carboxylic acid
Brand: Angene
SKU: AG00HYHI
Rating: 90 (10 reviews)

3,4-Dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-5-carboxylic acid

CAS No.:

158227-26-0

Catalog Number:

AG00HYHI

Molecular Formula:

C12H14O4

Molecular Weight:

222.2372

Catalog Number:

AG00HYHI

Chemical Name:

3,4-Dihydro-4-hydroxy-2,2-dimethyl-2H-1-benzopyran-5-carboxylic acid

CAS Number:

158227-26-0

Molecular Formula:

C12H14O4

Molecular Weight:

222.2372

MDL Number:

MFCD15527108

IUPAC Name:

4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-5-carboxylic acid

InChI:

InChI=1S/C12H14O4/c1-12(2)6-8(13)10-7(11(14)15)4-3-5-9(10)16-12/h3-5,8,13H,6H2,1-2H3,(H,14,15)

InChI Key:

YEFMXAXWEWYHNI-UHFFFAOYSA-N

SMILES:

OC1CC(C)(C)Oc2c1c(ccc2)C(=O)O

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.24g/mol

Monoisotopic Mass:

222.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3