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137617-76-6 | 2,4,7-Decatrienedioic acid, 5,6-dimethyl-, dimethyl ester, (E,E,Z)- (9CI)
CAS No: 137617-76-6 Catalog No: AG0013NB MDL No:
Product Description
Catalog Number:
AG0013NB
Chemical Name:
2,4,7-Decatrienedioic acid, 5,6-dimethyl-, dimethyl ester, (E,E,Z)- (9CI)
CAS Number:
137617-76-6
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
dimethyl 5,6-dimethyldeca-2,4,7-trienedioate
InChI:
InChI=1S/C14H20O4/c1-11(7-5-9-13(15)17-3)12(2)8-6-10-14(16)18-4/h5-9,12H,10H2,1-4H3
InChI Key:
LAZXEUNWTZXOLG-UHFFFAOYSA-N
SMILES:
COC(=O)C/C=C\C(/C(=C/C=C/C(=O)OC)/C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
2.9
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