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890090-65-0 | 6-Chlorochromone-3-propionic acid
CAS No: 890090-65-0 Catalog No: AG003N6E MDL No:
Product Description
Catalog Number:
AG003N6E
Chemical Name:
6-Chlorochromone-3-propionic acid
CAS Number:
890090-65-0
Molecular Formula:
C12H9ClO4
Molecular Weight:
252.6505
IUPAC Name:
3-(6-chloro-4-oxochromen-3-yl)propanoic acid
InChI:
InChI=1S/C12H9ClO4/c13-8-2-3-10-9(5-8)12(16)7(6-17-10)1-4-11(14)15/h2-3,5-6H,1,4H2,(H,14,15)
InChI Key:
YXTVVBLJYNPMJZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1coc2c(c1=O)cc(cc2)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.65g/mol
Monoisotopic Mass:
252.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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