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51085-92-8 | 6-Chlorochromone-3-carboxylic acid
CAS No: 51085-92-8 Catalog No: AG01FE9K MDL No:
Product Description
Catalog Number:
AG01FE9K
Chemical Name:
6-Chlorochromone-3-carboxylic acid
CAS Number:
51085-92-8
Molecular Formula:
C10H5ClO4
Molecular Weight:
224.5973
IUPAC Name:
6-chloro-4-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChI Key:
ATDTYCFXRNCJHO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(co2)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.596g/mol
Monoisotopic Mass:
223.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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