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1330-76-3 | 2-Butenedioic acid (2Z)-, 1,4-diisooctyl ester
CAS No: 1330-76-3 Catalog No: AG0011HT MDL No:MFCD00048386
Product Description
Catalog Number:
AG0011HT
Chemical Name:
2-Butenedioic acid (2Z)-, 1,4-diisooctyl ester
CAS Number:
1330-76-3
Molecular Formula:
C20H36O4
Molecular Weight:
340.4974
MDL Number:
MFCD00048386
IUPAC Name:
bis(6-methylheptyl) (Z)-but-2-enedioate
InChI:
InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
InChI Key:
QIGLLCHDIZAZFE-YPKPFQOOSA-N
SMILES:
CC(CCCCCOC(=O)/C=C\C(=O)OCCCCCC(C)C)C
EC Number:
215-547-2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
340.261g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.504g/mol
Monoisotopic Mass:
340.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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