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10061-71-9 | 2-Butenedioic acid, 2-methyl-, 1,4-bis(2-methylpropyl) ester, (2Z)-
CAS No: 10061-71-9 Catalog No: AG0002HI MDL No:
Product Description
Catalog Number:
AG0002HI
Chemical Name:
2-Butenedioic acid, 2-methyl-, 1,4-bis(2-methylpropyl) ester, (2Z)-
CAS Number:
10061-71-9
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
IUPAC Name:
bis(2-methylpropyl) 2-methylbut-2-enedioate
InChI:
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3
InChI Key:
GSWRSQKYPYOMBE-UHFFFAOYSA-N
SMILES:
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.315g/mol
Monoisotopic Mass:
242.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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