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122890-41-9 | Carbonic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl methyl ester
CAS No: 122890-41-9 Catalog No: AG000JQ1 MDL No:
Product Description
Catalog Number:
AG000JQ1
Chemical Name:
Carbonic acid, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl methyl ester
CAS Number:
122890-41-9
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
IUPAC Name:
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] methyl carbonate
InChI:
InChI=1S/C17H18O4/c1-17(2,12-4-8-14(18)9-5-12)13-6-10-15(11-7-13)21-16(19)20-3/h4-11,18H,1-3H3
InChI Key:
JZLKPFXJPGJHHY-UHFFFAOYSA-N
SMILES:
COC(=O)Oc1ccc(cc1)C(c1ccc(cc1)O)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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