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84775-28-0 | Carbonic acid, 4-acetylphenyl 1,1-dimethylethyl ester
CAS No: 84775-28-0 Catalog No: AG004XTB MDL No:
Product Description
Catalog Number:
AG004XTB
Chemical Name:
Carbonic acid, 4-acetylphenyl 1,1-dimethylethyl ester
CAS Number:
84775-28-0
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
(4-acetylphenyl) tert-butyl carbonate
InChI:
InChI=1S/C13H16O4/c1-9(14)10-5-7-11(8-6-10)16-12(15)17-13(2,3)4/h5-8H,1-4H3
InChI Key:
PIGUATQRGLPQHB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Oc1ccc(cc1)C(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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