200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 181132-77-4
181132-77-4 | 1,5-Benzoxazepin-4(5H)-one, 2-methyl-
CAS No: 181132-77-4 Catalog No: AG0022OT MDL No:
Product Description
Catalog Number:
AG0022OT
Chemical Name:
1,5-Benzoxazepin-4(5H)-one, 2-methyl-
CAS Number:
181132-77-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-methyl-5H-1,5-benzoxazepin-4-one
InChI:
InChI=1S/C10H9NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChI Key:
XEKDHSURKYYNGD-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)Oc2c(N1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.