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180343-64-0 | 2,1-Benzisoxazole-5-carbonitrile,3-methyl-(9CI)
CAS No: 180343-64-0 Catalog No: AG00AUU4 MDL No:
Product Description
Catalog Number:
AG00AUU4
Chemical Name:
2,1-Benzisoxazole-5-carbonitrile,3-methyl-(9CI)
CAS Number:
180343-64-0
IUPAC Name:
3-methyl-2,1-benzoxazole-5-carbonitrile
InChI:
InChI=1S/C9H6N2O/c1-6-8-4-7(5-10)2-3-9(8)11-12-6/h2-4H,1H3
InChI Key:
OBUFRNZDQDRNCG-UHFFFAOYSA-N
Properties
Complexity:
220
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:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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