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138509-34-9 | 2-Cyclopenten-1-one, 3-(3,4-dimethoxyphenyl)-
CAS No: 138509-34-9 Catalog No: AG0019C0 MDL No:
Product Description
Catalog Number:
AG0019C0
Chemical Name:
2-Cyclopenten-1-one, 3-(3,4-dimethoxyphenyl)-
CAS Number:
138509-34-9
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
3-(3,4-dimethoxyphenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C13H14O3/c1-15-12-6-4-10(8-13(12)16-2)9-3-5-11(14)7-9/h4,6-8H,3,5H2,1-2H3
InChI Key:
YLOYVXDIQXEESH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1=CC(=O)CC1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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