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176446-74-5 | Acetic acid, 2-[(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS No: 176446-74-5 Catalog No: AG0024OQ MDL No:
Product Description
Catalog Number:
AG0024OQ
Chemical Name:
Acetic acid, 2-[(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-
CAS Number:
176446-74-5
Molecular Formula:
C12H9ClO5
Molecular Weight:
268.6499
IUPAC Name:
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
InChI:
InChI=1S/C12H9ClO5/c1-6-8-3-2-7(17-5-10(14)15)4-9(8)18-12(16)11(6)13/h2-4H,5H2,1H3,(H,14,15)
InChI Key:
MXLOCRJKRZBQBM-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc2c(c1)oc(=O)c(c2C)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.014g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.649g/mol
Monoisotopic Mass:
268.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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