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88498-82-2 | 9H-Xanthen-9-one, 4-iodo-3-(2-propenyloxy)-
CAS No: 88498-82-2 Catalog No: AG00495S MDL No:
Product Description
Catalog Number:
AG00495S
Chemical Name:
9H-Xanthen-9-one, 4-iodo-3-(2-propenyloxy)-
CAS Number:
88498-82-2
Molecular Formula:
C16H11IO3
Molecular Weight:
378.1612
IUPAC Name:
4-iodo-3-prop-2-enoxyxanthen-9-one
InChI:
InChI=1S/C16H11IO3/c1-2-9-19-13-8-7-11-15(18)10-5-3-4-6-12(10)20-16(11)14(13)17/h2-8H,1,9H2
InChI Key:
ZMUVUCCXLVPQOJ-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc2c(c1I)oc1c(c2=O)cccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.975g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.165g/mol
Monoisotopic Mass:
377.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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