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1391059-96-3 | 8-IODO-3,4-DIHYDRO-1H-2-BENZOPYRAN
CAS No: 1391059-96-3 Catalog No: AG01BJRF MDL No:MFCD22536209
Product Description
Catalog Number:
AG01BJRF
Chemical Name:
8-IODO-3,4-DIHYDRO-1H-2-BENZOPYRAN
CAS Number:
1391059-96-3
Molecular Formula:
C9H9IO
Molecular Weight:
260.0716
MDL Number:
MFCD22536209
IUPAC Name:
8-iodo-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C9H9IO/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3H,4-6H2
InChI Key:
OTPLOUWTJHJEIO-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1COCC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.074g/mol
Monoisotopic Mass:
259.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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