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50471-17-5 | 1,2-Benzisoxazole-3-acetonitrile(9CI)
CAS No: 50471-17-5 Catalog No: AG00DJAW MDL No:
Product Description
Catalog Number:
AG00DJAW
Chemical Name:
1,2-Benzisoxazole-3-acetonitrile(9CI)
CAS Number:
50471-17-5
IUPAC Name:
2-(1,2-benzoxazol-3-yl)acetonitrile
InChI:
InChI=1S/C9H6N2O/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5H2
InChI Key:
KQSZMYURDCQPJU-UHFFFAOYSA-N
NSC Number:
285672
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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