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79694-76-1 | 4H-1-Benzopyran-4-one, 6-ethenyl-2,3-dihydro-2,2-dimethyl-
CAS No: 79694-76-1 Catalog No: AG005IMM MDL No:
Product Description
Catalog Number:
AG005IMM
Chemical Name:
4H-1-Benzopyran-4-one, 6-ethenyl-2,3-dihydro-2,2-dimethyl-
CAS Number:
79694-76-1
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
6-ethenyl-2,2-dimethyl-3H-chromen-4-one
InChI:
InChI=1S/C13H14O2/c1-4-9-5-6-12-10(7-9)11(14)8-13(2,3)15-12/h4-7H,1,8H2,2-3H3
InChI Key:
OKOIYQKVDCIBFR-UHFFFAOYSA-N
SMILES:
C=Cc1ccc2c(c1)C(=O)CC(O2)(C)C
Properties
Complexity:
280
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:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Studies on the cytotoxicity of miscellaneous compounds from Eupatorium betonicaeforme (D.C.) Baker (Asteraceae). | Chemistry & biodiversity 20071201 |
| Chemical composition and larvicidal activity of the essential oils from Eupatorium betonicaeforme (D.C.) Baker (Asteraceae). | Journal of agricultural and food chemistry 20041103 |
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