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88584-55-8 | Pentanedioic acid, 3-(dimethylamino)-2,4-dimethyl-, dimethyl ester
CAS No: 88584-55-8 Catalog No: AG004BCW MDL No:
Product Description
Catalog Number:
AG004BCW
Chemical Name:
Pentanedioic acid, 3-(dimethylamino)-2,4-dimethyl-, dimethyl ester
CAS Number:
88584-55-8
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
IUPAC Name:
dimethyl 3-(dimethylamino)-2,4-dimethylpentanedioate
InChI:
InChI=1S/C11H21NO4/c1-7(10(13)15-5)9(12(3)4)8(2)11(14)16-6/h7-9H,1-6H3
InChI Key:
CTRMNGKEDXUCHG-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(C(=O)OC)C)N(C)C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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