Home Nitriles 3-(1,2-benzoxazol-3-yl)propanenitrile

3-(1,2-benzoxazol-3-yl)propanenitrile

CAS No.:
59899-56-8
Catalog Number:
AG01B2MM
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
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Product Description
Catalog Number:
AG01B2MM
Chemical Name:
3-(1,2-benzoxazol-3-yl)propanenitrile
CAS Number:
59899-56-8
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD22414307
IUPAC Name:
3-(1,2-benzoxazol-3-yl)propanenitrile
InChI:
InChI=1S/C10H8N2O/c11-7-3-5-9-8-4-1-2-6-10(8)13-12-9/h1-2,4,6H,3,5H2
InChI Key:
UVECZJOMLAWTEK-UHFFFAOYSA-N
SMILES:
N#CCCc1noc2c1cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties