200,000+ products from a single source!
sales@angenechem.com
61834-40-0 | 1,2-Benzisoxazol-4(5H)-one,6,7-dihydro-3-methyl-(9CI)
CAS No: 61834-40-0 Catalog No: AG00EO5Z MDL No:MFCD09837186
Product Description
Catalog Number:
AG00EO5Z
Chemical Name:
1,2-Benzisoxazol-4(5H)-one,6,7-dihydro-3-methyl-(9CI)
CAS Number:
61834-40-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD09837186
IUPAC Name:
3-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
InChI:
InChI=1S/C8H9NO2/c1-5-8-6(10)3-2-4-7(8)11-9-5/h2-4H2,1H3
InChI Key:
NHAMNKMCXOKTLD-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(C)no2
NSC Number:
631956
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.