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17342-18-6 | 2-Propenoic acid, 2-cyano-, 2-butoxyethyl ester
CAS No: 17342-18-6 Catalog No: AG001YWC MDL No:
Product Description
Catalog Number:
AG001YWC
Chemical Name:
2-Propenoic acid, 2-cyano-, 2-butoxyethyl ester
CAS Number:
17342-18-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
2-butoxyethyl 2-cyanoprop-2-enoate
InChI:
InChI=1S/C10H15NO3/c1-3-4-5-13-6-7-14-10(12)9(2)8-11/h2-7H2,1H3
InChI Key:
WNMUOLOGFSYABW-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)C(=C)C#N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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