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87466-79-3 | 2-Propenenitrile, 2-(diethoxymethyl)-3-ethoxy-
CAS No: 87466-79-3 Catalog No: AG004EPW MDL No:
Product Description
Catalog Number:
AG004EPW
Chemical Name:
2-Propenenitrile, 2-(diethoxymethyl)-3-ethoxy-
CAS Number:
87466-79-3
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
2-(diethoxymethyl)-3-ethoxyprop-2-enenitrile
InChI:
InChI=1S/C10H17NO3/c1-4-12-8-9(7-11)10(13-5-2)14-6-3/h8,10H,4-6H2,1-3H3
InChI Key:
BYEOUVGYGCYXLI-UHFFFAOYSA-N
SMILES:
CCOC=C(C(OCC)OCC)C#N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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