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747370-95-2 | (2E)-3-(1H-imidazol-5-yl)prop-2-enenitrile
CAS No: 747370-95-2 Catalog No: AG01EM4Y MDL No:
Product Description
Catalog Number:
AG01EM4Y
Chemical Name:
(2E)-3-(1H-imidazol-5-yl)prop-2-enenitrile
CAS Number:
747370-95-2
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
IUPAC Name:
(E)-3-(1H-imidazol-5-yl)prop-2-enenitrile
InChI:
InChI=1S/C6H5N3/c7-3-1-2-6-4-8-5-9-6/h1-2,4-5H,(H,8,9)/b2-1+
InChI Key:
XJNHHKFRMKFHPO-OWOJBTEDSA-N
SMILES:
C(=C\C#N)/c1cnc[nH]1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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