Name: Name:2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid, Mixture of diastereomers
Brand: Angene
SKU: AG01EL39
Rating: 90 (10 reviews)

2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid, Mixture of diastereomers

CAS No.:

103988-32-5

Catalog Number:

AG01EL39

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

Catalog Number:

AG01EL39

Chemical Name:

2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid, Mixture of diastereomers

CAS Number:

103988-32-5

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

MDL Number:

MFCD31616054

IUPAC Name:

2,3-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

InChI:

InChI=1S/C11H12O3/c1-6-7(2)14-10-4-3-8(11(12)13)5-9(6)10/h3-7H,1-2H3,(H,12,13)

InChI Key:

BXPPKRXIAURYRK-UHFFFAOYSA-N

SMILES:

CC1Oc2c(C1C)cc(cc2)C(=O)O

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.214g/mol

Monoisotopic Mass:

192.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2