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113866-37-8 | 3-Penten-2-one, 4-methyl-1-phenoxy-
CAS No: 113866-37-8 Catalog No: AG0009Y4 MDL No:
Product Description
Catalog Number:
AG0009Y4
Chemical Name:
3-Penten-2-one, 4-methyl-1-phenoxy-
CAS Number:
113866-37-8
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
4-methyl-1-phenoxypent-3-en-2-one
InChI:
InChI=1S/C12H14O2/c1-10(2)8-11(13)9-14-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChI Key:
FATIKYVBRMQDEY-UHFFFAOYSA-N
SMILES:
O=C(C=C(C)C)COc1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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