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113824-77-4 | 2-Propenoic acid, 2-methyl-, 2-carboxy-2-methylpropyl ester
CAS No: 113824-77-4 Catalog No: AG0009SP MDL No:
Product Description
Catalog Number:
AG0009SP
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-carboxy-2-methylpropyl ester
CAS Number:
113824-77-4
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propanoic acid
InChI:
InChI=1S/C9H14O4/c1-6(2)7(10)13-5-9(3,4)8(11)12/h1,5H2,2-4H3,(H,11,12)
InChI Key:
RJLRFKIUTAGTSE-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC(C(=O)O)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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