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13051-32-6 | Pentanedioic acid, 2,2-dimethyl-, 1,5-dimethyl ester
CAS No: 13051-32-6 Catalog No: AG000UJ5 MDL No:MFCD11553050
Product Description
Catalog Number:
AG000UJ5
Chemical Name:
Pentanedioic acid, 2,2-dimethyl-, 1,5-dimethyl ester
CAS Number:
13051-32-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD11553050
IUPAC Name:
dimethyl 2,2-dimethylpentanedioate
InChI:
InChI=1S/C9H16O4/c1-9(2,8(11)13-4)6-5-7(10)12-3/h5-6H2,1-4H3
InChI Key:
FNUCRTXRRVUFJJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(=O)OC)(C)C
EC Number:
235-928-7
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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