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132180-14-4 | Propanedioic acid, 2-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 132180-14-4 Catalog No: AG0010CF MDL No:
Product Description
Catalog Number:
AG0010CF
Chemical Name:
Propanedioic acid, 2-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
132180-14-4
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
3-O-tert-butyl 1-O-methyl 2-methylpropanedioate
InChI:
InChI=1S/C9H16O4/c1-6(7(10)12-5)8(11)13-9(2,3)4/h6H,1-5H3
InChI Key:
JDQGMPGKDBIWOI-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC(C)(C)C)C
Properties
Complexity:
202
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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