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80166-56-9 | (2,2-DIMETHYLPROPYL) HYDROGEN SUCCINATE
CAS No: 80166-56-9 Catalog No: AG005CK1 MDL No:
Product Description
Catalog Number:
AG005CK1
Chemical Name:
(2,2-DIMETHYLPROPYL) HYDROGEN SUCCINATE
CAS Number:
80166-56-9
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
4-(2,2-dimethylpropoxy)-4-oxobutanoic acid
InChI:
InChI=1S/C9H16O4/c1-9(2,3)6-13-8(12)5-4-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChI Key:
CSYGSMPRMSYYJY-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)OCC(C)(C)C
EC Number:
279-410-9
Properties
Complexity:
190
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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