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160600-35-1 | Acetic acid, 2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS No: 160600-35-1 Catalog No: AG001S2S MDL No:MFCD03848122
Product Description
Catalog Number:
AG001S2S
Chemical Name:
Acetic acid, 2-[(4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS Number:
160600-35-1
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
MDL Number:
MFCD03848122
IUPAC Name:
2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetic acid
InChI:
InChI=1S/C13H12O5/c1-7-5-12(16)18-13-8(2)10(4-3-9(7)13)17-6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChI Key:
UUOBHEVDLOLOHB-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc2c(c1C)oc(=O)cc2C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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