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101803-94-5 | Pentanedioic acid, 2,2,3-trimethyl-, 1,5-dimethyl ester
CAS No: 101803-94-5 Catalog No: AG0005M3 MDL No:
Product Description
Catalog Number:
AG0005M3
Chemical Name:
Pentanedioic acid, 2,2,3-trimethyl-, 1,5-dimethyl ester
CAS Number:
101803-94-5
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
dimethyl 2,2,3-trimethylpentanedioate
InChI:
InChI=1S/C10H18O4/c1-7(6-8(11)13-4)10(2,3)9(12)14-5/h7H,6H2,1-5H3
InChI Key:
JKDRLLNFMYFMCN-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(C(=O)OC)(C)C)C
Properties
Complexity:
220
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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