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121704-77-6 | Ethanone, 1-(3-propoxyphenyl)-
CAS No: 121704-77-6 Catalog No: AG0015M5 MDL No:MFCD01922000
Product Description
Catalog Number:
AG0015M5
Chemical Name:
Ethanone, 1-(3-propoxyphenyl)-
CAS Number:
121704-77-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD01922000
IUPAC Name:
1-(3-propoxyphenyl)ethanone
InChI:
InChI=1S/C11H14O2/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8H,3,7H2,1-2H3
InChI Key:
NJVMQLXTCKOYLY-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1)C(=O)C
Properties
Complexity:
166
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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