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116767-83-0 | Butanoic acid, 3-methyl-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS No: 116767-83-0 Catalog No: AG000D7E MDL No:
Product Description
Catalog Number:
AG000D7E
Chemical Name:
Butanoic acid, 3-methyl-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS Number:
116767-83-0
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
2-(2-methylprop-2-enoyloxy)ethyl 3-methylbutanoate
InChI:
InChI=1S/C11H18O4/c1-8(2)7-10(12)14-5-6-15-11(13)9(3)4/h8H,3,5-7H2,1-2,4H3
InChI Key:
HHJOQYRALIHRPI-UHFFFAOYSA-N
SMILES:
CC(CC(=O)OCCOC(=O)C(=C)C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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