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112059-06-0 | 4H-1-Benzopyran-3-carboxaldehyde, 6-chloro-5-methyl-4-oxo-
CAS No: 112059-06-0 Catalog No: AG0083M6 MDL No:
Product Description
Catalog Number:
AG0083M6
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 6-chloro-5-methyl-4-oxo-
CAS Number:
112059-06-0
Molecular Formula:
C11H7ClO3
Molecular Weight:
222.6245
IUPAC Name:
6-chloro-5-methyl-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H7ClO3/c1-6-8(12)2-3-9-10(6)11(14)7(4-13)5-15-9/h2-5H,1H3
InChI Key:
GEHXGKBYEZZKBU-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)c(C)c(cc2)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.624g/mol
Monoisotopic Mass:
222.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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