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868-00-8 | 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester
CAS No: 868-00-8 Catalog No: AG004MIH MDL No:
Product Description
Catalog Number:
AG004MIH
Chemical Name:
2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester
CAS Number:
868-00-8
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
ethyl 2-cyano-3,4-dimethylpent-2-enoate
InChI:
InChI=1S/C10H15NO2/c1-5-13-10(12)9(6-11)8(4)7(2)3/h7H,5H2,1-4H3
InChI Key:
IZTBINIQCRNCBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C(C)C)C)C#N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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