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26516-26-7 | Hexanedioic acid, 2-ethyl-, 1,6-dimethyl ester
CAS No: 26516-26-7 Catalog No: AG002TJR MDL No:
Product Description
Catalog Number:
AG002TJR
Chemical Name:
Hexanedioic acid, 2-ethyl-, 1,6-dimethyl ester
CAS Number:
26516-26-7
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
dimethyl 2-ethylhexanedioate
InChI:
InChI=1S/C10H18O4/c1-4-8(10(12)14-3)6-5-7-9(11)13-2/h8H,4-7H2,1-3H3
InChI Key:
MMZVDLQEASJIKQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(C(=O)OC)CC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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