Home Halogens 2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-(methoxymethyl)-

2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-(methoxymethyl)-

CAS No.:
175205-11-5
Catalog Number:
AG0020NC
Molecular Formula:
C11H9ClO4
Molecular Weight:
240.6398
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Product Description
Catalog Number:
AG0020NC
Chemical Name:
2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-(methoxymethyl)-
CAS Number:
175205-11-5
Molecular Formula:
C11H9ClO4
Molecular Weight:
240.6398
MDL Number:
MFCD00068094
IUPAC Name:
6-chloro-7-hydroxy-4-(methoxymethyl)chromen-2-one
InChI:
InChI=1S/C11H9ClO4/c1-15-5-6-2-11(14)16-10-4-9(13)8(12)3-7(6)10/h2-4,13H,5H2,1H3
InChI Key:
KHLHZGTZWJOFOC-UHFFFAOYSA-N
SMILES:
COCc1cc(=O)oc2c1cc(Cl)c(c2)O
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.639g/mol
Monoisotopic Mass:
240.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties