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162971-24-6 | 2H-1-Benzopyran-2-one, 3,4-dihydro-3-iodo-3-(methoxymethyl)-
CAS No: 162971-24-6 Catalog No: AG001TLA MDL No:
Product Description
Catalog Number:
AG001TLA
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-3-iodo-3-(methoxymethyl)-
CAS Number:
162971-24-6
Molecular Formula:
C11H11IO3
Molecular Weight:
318.1077
IUPAC Name:
3-iodo-3-(methoxymethyl)-4H-chromen-2-one
InChI:
InChI=1S/C11H11IO3/c1-14-7-11(12)6-8-4-2-3-5-9(8)15-10(11)13/h2-5H,6-7H2,1H3
InChI Key:
RADYBIPISSYRQD-UHFFFAOYSA-N
SMILES:
COCC1(I)Cc2ccccc2OC1=O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.11g/mol
Monoisotopic Mass:
317.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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