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39513-75-2 | 6-Methylchroman-4-one
CAS No: 39513-75-2 Catalog No: AG003NA5 MDL No:MFCD00024071
Product Description
Catalog Number:
AG003NA5
Chemical Name:
6-Methylchroman-4-one
CAS Number:
39513-75-2
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00024071
IUPAC Name:
6-methyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChI Key:
RJHXEPLSJAVTFW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)CCO2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Modulation of expression of IL-8 gene in bronchial epithelial cells by 5-methoxypsoralen. | International immunopharmacology 20091101 |
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