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30908-62-4 | 2-Propenenitrile, 3-(2-propyn-1-yloxy)-
CAS No: 30908-62-4 Catalog No: AG0031NB MDL No:
Product Description
Catalog Number:
AG0031NB
Chemical Name:
2-Propenenitrile, 3-(2-propyn-1-yloxy)-
CAS Number:
30908-62-4
Molecular Formula:
C6H5NO
Molecular Weight:
107.1100
IUPAC Name:
3-prop-2-ynoxyprop-2-enenitrile
InChI:
InChI=1S/C6H5NO/c1-2-5-8-6-3-4-7/h1,3,6H,5H2
InChI Key:
FMXAGCUKMDOJPZ-UHFFFAOYSA-N
SMILES:
C#CCOC=CC#N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.112g/mol
Monoisotopic Mass:
107.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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