Name: Name:5-methyl-8-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Brand: Angene
SKU: AG01A1NR
Rating: 90 (10 reviews)

5-methyl-8-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one

CAS No.:

23067-87-0

Catalog Number:

AG01A1NR

Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

Catalog Number:

AG01A1NR

Chemical Name:

5-methyl-8-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-one

CAS Number:

23067-87-0

Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

MDL Number:

MFCD11207569

IUPAC Name:

5-methyl-8-propan-2-yl-2,3-dihydrochromen-4-one

InChI:

InChI=1S/C13H16O2/c1-8(2)10-5-4-9(3)12-11(14)6-7-15-13(10)12/h4-5,8H,6-7H2,1-3H3

InChI Key:

XITYNXKNYIMCDC-UHFFFAOYSA-N

SMILES:

CC(c1ccc(c2c1OCCC2=O)C)C

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.269g/mol

Monoisotopic Mass:

204.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9