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70201-54-6 | 1-(2-ISOPROPOXYPHENYL)ETHANONE
CAS No: 70201-54-6 Catalog No: AG006BBT MDL No:MFCD01923827
Product Description
Catalog Number:
AG006BBT
Chemical Name:
1-(2-ISOPROPOXYPHENYL)ETHANONE
CAS Number:
70201-54-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD01923827
IUPAC Name:
1-(2-propan-2-yloxyphenyl)ethanone
InChI:
InChI=1S/C11H14O2/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-8H,1-3H3
InChI Key:
YFKLYHKKDVPRAI-UHFFFAOYSA-N
SMILES:
CC(Oc1ccccc1C(=O)C)C
Properties
Complexity:
175
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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