Name: Name:3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
Brand: Angene
SKU: AG01AM3D
Rating: 90 (10 reviews)

3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol

CAS No.:

68281-26-5

Catalog Number:

AG01AM3D

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

Catalog Number:

AG01AM3D

Chemical Name:

3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol

CAS Number:

68281-26-5

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD28968348

IUPAC Name:

3-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol

InChI:

InChI=1S/C10H12O3/c1-10(11)6-12-8-4-2-3-5-9(8)13-7-10/h2-5,11H,6-7H2,1H3

InChI Key:

HWYICNJWLYVBPJ-UHFFFAOYSA-N

SMILES:

CC1(O)COc2c(OC1)cccc2

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.203g/mol

Monoisotopic Mass:

180.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5