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19385-59-2 | Isoxazolo[5,4-b]pyridin-4-ol, 3,6-dimethyl- (8CI)
CAS No: 19385-59-2 Catalog No: AG00B42M MDL No:MFCD16250020
Product Description
Catalog Number:
AG00B42M
Chemical Name:
Isoxazolo[5,4-b]pyridin-4-ol, 3,6-dimethyl- (8CI)
CAS Number:
19385-59-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD16250020
IUPAC Name:
3,6-dimethyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
InChI:
InChI=1S/C8H8N2O2/c1-4-3-6(11)7-5(2)10-12-8(7)9-4/h3H,1-2H3,(H,9,11)
InChI Key:
IVRLAZKRKFPZLL-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)onc2C
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:
4
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:
1.1
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