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197591-05-2 | 2H-1-Benzopyran-2-one, 4-(chloromethyl)-6,7-dimethoxy-
CAS No: 197591-05-2 Catalog No: AG002AX3 MDL No:
Product Description
Catalog Number:
AG002AX3
Chemical Name:
2H-1-Benzopyran-2-one, 4-(chloromethyl)-6,7-dimethoxy-
CAS Number:
197591-05-2
Molecular Formula:
C12H11ClO4
Molecular Weight:
254.6663
IUPAC Name:
4-(chloromethyl)-6,7-dimethoxychromen-2-one
InChI:
InChI=1S/C12H11ClO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3
InChI Key:
JUINCLWPPKPHNW-UHFFFAOYSA-N
SMILES:
COc1cc2c(CCl)cc(=O)oc2cc1OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.666g/mol
Monoisotopic Mass:
254.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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