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24643-49-0 | 4,6-Decadiynedioic acid, 1,10-dimethyl ester
CAS No: 24643-49-0 Catalog No: AG002OXF MDL No:
Product Description
Catalog Number:
AG002OXF
Chemical Name:
4,6-Decadiynedioic acid, 1,10-dimethyl ester
CAS Number:
24643-49-0
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
dimethyl deca-4,6-diynedioate
InChI:
InChI=1S/C12H14O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7-10H2,1-2H3
InChI Key:
LJJQOVUCWFWDOT-UHFFFAOYSA-N
SMILES:
COC(=O)CCC#CC#CCCC(=O)OC
NSC Number:
156569
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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