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113426-21-4 | 2-Hexenoic acid, 2,3-dimethyl-, ethyl ester
CAS No: 113426-21-4 Catalog No: AG0008K7 MDL No:
Product Description
Catalog Number:
AG0008K7
Chemical Name:
2-Hexenoic acid, 2,3-dimethyl-, ethyl ester
CAS Number:
113426-21-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
ethyl 2,3-dimethylhex-2-enoate
InChI:
InChI=1S/C10H18O2/c1-5-7-8(3)9(4)10(11)12-6-2/h5-7H2,1-4H3
InChI Key:
JMZRJEFOCFGIET-UHFFFAOYSA-N
SMILES:
CCCC(=C(C(=O)OCC)C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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