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Home > Aldehydes > 113018-98-7
113018-98-7 | 2H-1-Benzopyran-3-carboxaldehyde,6-chloro-4-hydroxy-2-oxo-
CAS No: 113018-98-7 Catalog No: AG00788R MDL No:
Product Description
Catalog Number:
AG00788R
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde,6-chloro-4-hydroxy-2-oxo-
CAS Number:
113018-98-7
Molecular Formula:
C10H5ClO4
Molecular Weight:
224.5973
IUPAC Name:
6-chloro-4-hydroxy-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)9(13)7(4-12)10(14)15-8/h1-4,13H
InChI Key:
SEPLQNFQGGDKHK-UHFFFAOYSA-N
SMILES:
O=Cc1c(=O)oc2c(c1O)cc(cc2)Cl
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:
2.1
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