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114351-60-9 | 5-Hexenoic acid, 2-methyl-2-(1-oxopropyl)-, ethyl ester
CAS No: 114351-60-9 Catalog No: AG000B4X MDL No:
Product Description
Catalog Number:
AG000B4X
Chemical Name:
5-Hexenoic acid, 2-methyl-2-(1-oxopropyl)-, ethyl ester
CAS Number:
114351-60-9
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
ethyl 2-methyl-2-propanoylhex-5-enoate
InChI:
InChI=1S/C12H20O3/c1-5-8-9-12(4,10(13)6-2)11(14)15-7-3/h5H,1,6-9H2,2-4H3
InChI Key:
HONDMINACMSZCD-UHFFFAOYSA-N
SMILES:
C=CCCC(C(=O)OCC)(C(=O)CC)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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