Name: Name:3,3-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
Brand: Angene
SKU: AG01EJX5
Rating: 90 (10 reviews)

3,3-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

CAS No.:

106141-28-0

Catalog Number:

AG01EJX5

Molecular Formula:

C11H12O2

Molecular Weight:

176.2118

Catalog Number:

AG01EJX5

Chemical Name:

3,3-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

CAS Number:

106141-28-0

Molecular Formula:

C11H12O2

Molecular Weight:

176.2118

MDL Number:

MFCD20482573

IUPAC Name:

3,3-dimethyl-2H-chromen-4-one

InChI:

InChI=1S/C11H12O2/c1-11(2)7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3

InChI Key:

XGZPZEWXJIKIIG-UHFFFAOYSA-N

SMILES:

O=C1c2ccccc2OCC1(C)C

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.215g/mol

Monoisotopic Mass:

176.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3