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2051-00-5 | Ethanedioic acid, 1,2-bis(3-methylbutyl) ester
CAS No: 2051-00-5 Catalog No: AG0029UM MDL No:
Product Description
Catalog Number:
AG0029UM
Chemical Name:
Ethanedioic acid, 1,2-bis(3-methylbutyl) ester
CAS Number:
2051-00-5
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
bis(3-methylbutyl) oxalate
InChI:
InChI=1S/C12H22O4/c1-9(2)5-7-15-11(13)12(14)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChI Key:
HCUOPEBHVAVNIE-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)C(=O)OCCC(C)C)C
EC Number:
218-112-5
NSC Number:
7954
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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