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83831-75-8 | propan-2-yl phenyl(propan-2-yloxy)acetate
CAS No: 83831-75-8 Catalog No: AG004VWL MDL No:
Product Description
Catalog Number:
AG004VWL
Chemical Name:
propan-2-yl phenyl(propan-2-yloxy)acetate
CAS Number:
83831-75-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
propan-2-yl 2-phenyl-2-propan-2-yloxyacetate
InChI:
InChI=1S/C14H20O3/c1-10(2)16-13(14(15)17-11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChI Key:
JPZMLXMZWYTMRO-UHFFFAOYSA-N
SMILES:
CC(OC(c1ccccc1)C(=O)OC(C)C)C
NSC Number:
68830
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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