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69254-54-2 | 1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
CAS No: 69254-54-2 Catalog No: AG005K8N MDL No:
Product Description
Catalog Number:
AG005K8N
Chemical Name:
1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
CAS Number:
69254-54-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethanone
InChI:
InChI=1S/C12H14O3/c1-8-5-10(9(2)13)3-4-12(8)15-7-11-6-14-11/h3-5,11H,6-7H2,1-2H3
InChI Key:
YGJAWXOONWYIIG-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OCC1CO1)C(=O)C
NSC Number:
130115
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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