Name: Name:1-Benzoxepin-5(2H)-one, 3,4-dihydro-9-methoxy-
Brand: Angene
SKU: AG000X55
Rating: 90 (10 reviews)

1-Benzoxepin-5(2H)-one, 3,4-dihydro-9-methoxy-

CAS No.:

127557-08-8

Catalog Number:

AG000X55

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

Catalog Number:

AG000X55

Chemical Name:

1-Benzoxepin-5(2H)-one, 3,4-dihydro-9-methoxy-

CAS Number:

127557-08-8

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

MDL Number:

MFCD11104511

IUPAC Name:

9-methoxy-3,4-dihydro-2H-1-benzoxepin-5-one

InChI:

InChI=1S/C11H12O3/c1-13-10-6-2-4-8-9(12)5-3-7-14-11(8)10/h2,4,6H,3,5,7H2,1H3

InChI Key:

OOANXHDARKDPIG-UHFFFAOYSA-N

SMILES:

COc1cccc2c1OCCCC2=O

Complexity:

215

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:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7