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15732-02-2 | 2-Propenenitrile, 3,3-dimethoxy-
CAS No: 15732-02-2 Catalog No: AG001PDY MDL No:MFCD09908209
Product Description
Catalog Number:
AG001PDY
Chemical Name:
2-Propenenitrile, 3,3-dimethoxy-
CAS Number:
15732-02-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD09908209
IUPAC Name:
3,3-dimethoxyprop-2-enenitrile
InChI:
InChI=1S/C5H7NO2/c1-7-5(8-2)3-4-6/h3H,1-2H3
InChI Key:
AGNINIWJJIXFSX-UHFFFAOYSA-N
SMILES:
COC(=CC#N)OC
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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