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904318-61-2 | 3-iodo-5-methoxy-4H-chromen-4-one
CAS No: 904318-61-2 Catalog No: AG00H2HW MDL No:MFCD12828466
Product Description
Catalog Number:
AG00H2HW
Chemical Name:
3-iodo-5-methoxy-4H-chromen-4-one
CAS Number:
904318-61-2
Molecular Formula:
C10H7IO3
Molecular Weight:
302.0652
MDL Number:
MFCD12828466
IUPAC Name:
3-iodo-5-methoxychromen-4-one
InChI:
InChI=1S/C10H7IO3/c1-13-7-3-2-4-8-9(7)10(12)6(11)5-14-8/h2-5H,1H3
InChI Key:
RYDDDSRWAQSTJD-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(=O)c(co2)I
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.067g/mol
Monoisotopic Mass:
301.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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