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1229311-50-5 | Propanedioic acid, 2,2-bis(2-methylpropyl)-, 1,3-dimethyl ester
CAS No: 1229311-50-5 Catalog No: AG000JSB MDL No:
Product Description
Catalog Number:
AG000JSB
Chemical Name:
Propanedioic acid, 2,2-bis(2-methylpropyl)-, 1,3-dimethyl ester
CAS Number:
1229311-50-5
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
dimethyl 2,2-bis(2-methylpropyl)propanedioate
InChI:
InChI=1S/C13H24O4/c1-9(2)7-13(8-10(3)4,11(14)16-5)12(15)17-6/h9-10H,7-8H2,1-6H3
InChI Key:
VMSDGXIKDYLSHB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)(CC(C)C)CC(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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