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80677-66-3 | 2-Propenoic acid, 2-cyano-3-ethoxy-, pentyl ester
CAS No: 80677-66-3 Catalog No: AG005JXT MDL No:
Product Description
Catalog Number:
AG005JXT
Chemical Name:
2-Propenoic acid, 2-cyano-3-ethoxy-, pentyl ester
CAS Number:
80677-66-3
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
pentyl 2-cyano-3-ethoxyprop-2-enoate
InChI:
InChI=1S/C11H17NO3/c1-3-5-6-7-15-11(13)10(8-12)9-14-4-2/h9H,3-7H2,1-2H3
InChI Key:
RLEPPBNIISRBFM-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)C(=COCC)C#N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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