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13784-89-9 | Ethanedioic acid, 1,2-bis(1-methylpropyl) ester
CAS No: 13784-89-9 Catalog No: AG0013XR MDL No:
Product Description
Catalog Number:
AG0013XR
Chemical Name:
Ethanedioic acid, 1,2-bis(1-methylpropyl) ester
CAS Number:
13784-89-9
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
dibutan-2-yl oxalate
InChI:
InChI=1S/C10H18O4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChI Key:
MTLJANFMXKYOAV-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C(=O)OC(CC)C)C
EC Number:
237-442-0
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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