Home Oxazoles 21725-69-9
21725-69-9,MFCD00125030
Catalog No.:AA0034F3
21725-69-9 | 1,2-Benzisoxazol-3(2H)-one
Pack Size
Purity
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1g
96%
in stock  
$40.00
- +
5g
96%
in stock  
$150.00
- +
10g
96%
in stock  
$278.00
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25g
96%
in stock  
$500.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0034F3
Chemical Name:
1,2-Benzisoxazol-3(2H)-one
CAS Number:
21725-69-9
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00125030
IUPAC Name:
1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChI Key:
QLDQYRDCPNBPII-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc2c1cccc2
NSC Number:
683715
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
3-hydroxy-1,2-benzisoxazole 
benzo[d]isoxazol-3-ol 
NSC683715 
1,2-Benzisoxazol-3-ol (8CI) 
QLDQYRDCPNBPII-UHFFFAOYSA-N 
MFCD00125030 
Benzo[d]isoxazol-3-ol, 96% 
benzisoxazolone 
hydroxybenzisoxazole 
3-hydroxy benzisoxazole 
benzo[d]isoxazol-3-one 
AC1L4PLF 
21725-69-9 
ACMC-209x7b 
AC1Q1HK1 
AC1Q79DR 
3-Hydroxybenzisoxazole, 97% 
benzo[d]isoxazol-3(2H)-one 
SCHEMBL468359 
CHEMBL444173 
BDBM23166 
CTK1A1926 
CTK8A0903 
1,2-Benzisoxazol-3(2H)-one 
DTXSID80176116 
KS-00002A7B 
ZINC3588816 
2,3-dihydro-1,2-benzoxazol-3-one 
ANW-47301 
BBL103636 
GEO-00265 
SBB056388 
STL557446 
AKOS005199055 
1,2-benzoxazol-3-ol 
AKOS015900036 
AM84767 
AS06287 
CM10137 
MCULE-4883263623 
NSC-683715 
PS-4486 
SDCCGMLS-0066198.P001 
TRA0083702 
AC-26513 
1,2-Benzisoxazol-3-ol 
AJ-45049 
BR-32024 
EN002245 
LS-33644 
AB0001931 
DB-066611 
ST2412653 
TR-032839 
A3882 
FT-0606284 
3-Hydroxybenzisoxazole 
W4501 
C-6245 
725B699 
W-200224 
I14-10786 
Z1592042113 
9EW 
C7H5NO2 
KST-1B2213 
Methyl4-(trifluoromethyl)nicotinate 
3-Hydroxy-1,2-benzisoxazole 
methyl 4-(trifluoromethyl)nicotinate 
AR-1B5550 
CID210830 
24827-65-4 
103213-31-6 
175204-82-7 
BIO 
1,2-Benzisoxazolin-3-one 
1,2-benzoxazol-3-one 
Literature

Title: Benzisoxazole analogs as glycogen synthase activators, a patent evaluation (WO2011057956).

Journal: Expert opinion on therapeutic patents 20120601

Title: The Therapeutic Potential of D-Amino Acid Oxidase (DAAO) Inhibitors.

Journal: The open medicinal chemistry journal 20100101

Title: Synthesis of the isoxazolo[4,3,2-de]phenanthridinone moiety of the parnafungins.

Journal: Organic letters 20090702

Title: Discovery and structure-activity relationships of a novel series of benzopyran-based K(ATP) openers for urge urinary incontinence.

Journal: Bioorganic & medicinal chemistry 20090115

Title: Synthesis and biological evaluation of D-amino acid oxidase inhibitors.

Journal: Journal of medicinal chemistry 20080626

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