200,000+ products from a single source!
sales@angenechem.com
169814-25-9 | 1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(3-methoxyphenyl)-
CAS No: 169814-25-9 Catalog No: AG00797X MDL No:
Product Description
Catalog Number:
AG00797X
Chemical Name:
1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(3-methoxyphenyl)-
CAS Number:
169814-25-9
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
3-(3-methoxyphenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
InChI:
InChI=1S/C14H13NO3/c1-17-10-5-2-4-9(8-10)14-13-11(16)6-3-7-12(13)18-15-14/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
IXARIBRGWARWRM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1noc2c1C(=O)CCC2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.