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127230-04-0 | Ethanone, 1-(2-ethenyl-2,3-dihydro-2-methyl-5-benzofuranyl)-
CAS No: 127230-04-0 Catalog No: AG000WS8 MDL No:
Product Description
Catalog Number:
AG000WS8
Chemical Name:
Ethanone, 1-(2-ethenyl-2,3-dihydro-2-methyl-5-benzofuranyl)-
CAS Number:
127230-04-0
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
1-(2-ethenyl-2-methyl-3H-1-benzofuran-5-yl)ethanone
InChI:
InChI=1S/C13H14O2/c1-4-13(3)8-11-7-10(9(2)14)5-6-12(11)15-13/h4-7H,1,8H2,2-3H3
InChI Key:
SWEUGEGDRPBFRV-UHFFFAOYSA-N
SMILES:
C=CC1(C)Oc2c(C1)cc(cc2)C(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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