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87532-07-8 | Propanoic acid, 2-(benzoyloxy)-2-methyl-, methyl ester
CAS No: 87532-07-8 Catalog No: AG004DFR MDL No:
Product Description
Catalog Number:
AG004DFR
Chemical Name:
Propanoic acid, 2-(benzoyloxy)-2-methyl-, methyl ester
CAS Number:
87532-07-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(1-methoxy-2-methyl-1-oxopropan-2-yl) benzoate
InChI:
InChI=1S/C12H14O4/c1-12(2,11(14)15-3)16-10(13)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
NVMAPDIPFJCQFE-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC(=O)c1ccccc1)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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