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89942-57-4 | 6-methoxy-2,3-dihydro-1,2-benzoxazol-3-one
CAS No: 89942-57-4 Catalog No: AG01B8PX MDL No:MFCD13180533
Product Description
Catalog Number:
AG01B8PX
Chemical Name:
6-methoxy-2,3-dihydro-1,2-benzoxazol-3-one
CAS Number:
89942-57-4
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD13180533
IUPAC Name:
6-methoxy-1,2-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-9-8(6)10/h2-4H,1H3,(H,9,10)
InChI Key:
WVBAYYGFAJXJEX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)o[nH]c2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of D-amino acid oxidase inhibitors. | Journal of medicinal chemistry 20080626 |
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