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120045-71-8 | 4H-1-Benzopyran-4-one, 2-[(methylthio)methyl]-
CAS No: 120045-71-8 Catalog No: AG000Q71 MDL No:
Product Description
Catalog Number:
AG000Q71
Chemical Name:
4H-1-Benzopyran-4-one, 2-[(methylthio)methyl]-
CAS Number:
120045-71-8
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
IUPAC Name:
2-(methylsulfanylmethyl)chromen-4-one
InChI:
InChI=1S/C11H10O2S/c1-14-7-8-6-10(12)9-4-2-3-5-11(9)13-8/h2-6H,7H2,1H3
InChI Key:
QJLLMDUCYDFGBK-UHFFFAOYSA-N
SMILES:
CSCc1cc(=O)c2c(o1)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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