Name: Name:3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-one
Brand: Angene
SKU: AG01DWXG
Rating: 90 (10 reviews)

3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-one

CAS No.:

96728-48-2

Catalog Number:

AG01DWXG

Molecular Formula:

C9H12O2

Molecular Weight:

152.1904

Catalog Number:

AG01DWXG

Chemical Name:

3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-one

CAS Number:

96728-48-2

Molecular Formula:

C9H12O2

Molecular Weight:

152.1904

MDL Number:

MFCD24706406

IUPAC Name:

1,3,4,7,8,8a-hexahydroisochromen-6-one

InChI:

InChI=1S/C9H12O2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h5,8H,1-4,6H2

InChI Key:

VVTXBQICDZEGQP-UHFFFAOYSA-N

SMILES:

O=C1CCC2C(=C1)CCOC2

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

152.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

152.193g/mol

Monoisotopic Mass:

152.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1