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173900-26-0 | 3-Isoxazoleacetonitrile,5-(3-hydroxypropyl)-(9CI)
CAS No: 173900-26-0 Catalog No: AG00B3YK MDL No:
Product Description
Catalog Number:
AG00B3YK
Chemical Name:
3-Isoxazoleacetonitrile,5-(3-hydroxypropyl)-(9CI)
CAS Number:
173900-26-0
IUPAC Name:
2-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]acetonitrile
InChI:
InChI=1S/C8H10N2O2/c9-4-3-7-6-8(12-10-7)2-1-5-11/h6,11H,1-3,5H2
InChI Key:
IMCHMNLSCRCHRW-UHFFFAOYSA-N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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