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138751-95-8 | Butanedioic acid, hexenyl-, mono(1-methylethyl) ester (9CI)
CAS No: 138751-95-8 Catalog No: AG0019GQ MDL No:
Product Description
Catalog Number:
AG0019GQ
Chemical Name:
Butanedioic acid, hexenyl-, mono(1-methylethyl) ester (9CI)
CAS Number:
138751-95-8
Molecular Formula:
C13H21O4-
Molecular Weight:
241.3034
IUPAC Name:
3-propan-2-yloxycarbonylnon-4-enoate
InChI:
InChI=1S/C13H22O4/c1-4-5-6-7-8-11(9-12(14)15)13(16)17-10(2)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,14,15)/p-1
InChI Key:
IUYQKBMQLMCLBS-UHFFFAOYSA-M
SMILES:
CCCCC=CC(C(=O)OC(C)C)CC(=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.144g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.307g/mol
Monoisotopic Mass:
241.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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