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19385-56-9 | Isoxazolo[5,4-b]pyridin-6(7H)-one, 3,4-dimethyl- (9CI)
CAS No: 19385-56-9 Catalog No: AG00B42R MDL No:MFCD12405263
Product Description
Catalog Number:
AG00B42R
Chemical Name:
Isoxazolo[5,4-b]pyridin-6(7H)-one, 3,4-dimethyl- (9CI)
CAS Number:
19385-56-9
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD12405263
IUPAC Name:
3,4-dimethyl-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
InChI:
InChI=1S/C8H8N2O2/c1-4-3-6(11)9-8-7(4)5(2)10-12-8/h3H,1-2H3,(H,9,11)
InChI Key:
LYRXCWXCVPKNKC-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c2c1c(C)no2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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