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137371-52-9 | 10-Undecenoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester
CAS No: 137371-52-9 Catalog No: AG00136F MDL No:
Product Description
Catalog Number:
AG00136F
Chemical Name:
10-Undecenoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester
CAS Number:
137371-52-9
Molecular Formula:
C17H28O6
Molecular Weight:
328.4006
IUPAC Name:
2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid
InChI:
InChI=1S/C17H28O6/c1-4-5-6-7-8-9-10-11-12-15(18)22-14(3)17(21)23-13(2)16(19)20/h4,13-14H,1,5-12H2,2-3H3,(H,19,20)
InChI Key:
GXCJZVPFMICXTH-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)OC(C(=O)OC(C(=O)O)C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.405g/mol
Monoisotopic Mass:
328.189g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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