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Home > Other Building Blocks > 87771-41-3
87771-41-3 | Ethanone, 1-[3-(1-hydroxy-1-methylethyl)phenyl]-
CAS No: 87771-41-3 Catalog No: AG0036B5 MDL No:
Product Description
Catalog Number:
AG0036B5
Chemical Name:
Ethanone, 1-[3-(1-hydroxy-1-methylethyl)phenyl]-
CAS Number:
87771-41-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
InChI:
InChI=1S/C11H14O2/c1-8(12)9-5-4-6-10(7-9)11(2,3)13/h4-7,13H,1-3H3
InChI Key:
MNEFLNSJCTVLTJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)C(O)(C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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