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1123787-67-6 | (Oxetan-3-ylidene)acetonitrile
CAS No: 1123787-67-6 Catalog No: AG0038Z1 MDL No:MFCD14586415
Product Description
Catalog Number:
AG0038Z1
Chemical Name:
(Oxetan-3-ylidene)acetonitrile
CAS Number:
1123787-67-6
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD14586415
IUPAC Name:
2-(oxetan-3-ylidene)acetonitrile
InChI:
InChI=1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
InChI Key:
DSKHBLMKLTZNRU-UHFFFAOYSA-N
SMILES:
N#CC=C1COC1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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