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2121-68-8 | Dimethyl 2,4-dimethylglutarate
CAS No: 2121-68-8 Catalog No: AG00363G MDL No:
Product Description
Catalog Number:
AG00363G
Chemical Name:
Dimethyl 2,4-dimethylglutarate
CAS Number:
2121-68-8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
dimethyl 2,4-dimethylpentanedioate
InChI:
InChI=1S/C9H16O4/c1-6(8(10)12-3)5-7(2)9(11)13-4/h6-7H,5H2,1-4H3
InChI Key:
LQLYZPTVIYLWPB-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(C(=O)OC)C)C
NSC Number:
76590
Properties
Complexity:
168
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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