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114649-68-2 | Benzenemethanol, 3-(acetyloxy)-4-(1-methylethyl)-
CAS No: 114649-68-2 Catalog No: AG000EY7 MDL No:
Product Description
Catalog Number:
AG000EY7
Chemical Name:
Benzenemethanol, 3-(acetyloxy)-4-(1-methylethyl)-
CAS Number:
114649-68-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
[5-(hydroxymethyl)-2-propan-2-ylphenyl] acetate
InChI:
InChI=1S/C12H16O3/c1-8(2)11-5-4-10(7-13)6-12(11)15-9(3)14/h4-6,8,13H,7H2,1-3H3
InChI Key:
AVWBFLBVSNOJES-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)OC(=O)C)C(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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