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824431-50-7

824431-50-7 | Benzene, 1-[(1E)-5-iodo-1-pentenyl]-4-methoxy-

CAS No: 824431-50-7 Catalog No: AG0050QI MDL No:

Product Description

Catalog Number:
AG0050QI
Chemical Name:
Benzene, 1-[(1E)-5-iodo-1-pentenyl]-4-methoxy-
CAS Number:
824431-50-7
Molecular Formula:
C12H15IO
Molecular Weight:
302.1514
IUPAC Name:
1-(5-iodopent-1-enyl)-4-methoxybenzene
InChI:
InChI=1S/C12H15IO/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h3,5-9H,2,4,10H2,1H3
InChI Key:
QBJJLZXKVJKAJZ-UHFFFAOYSA-N
SMILES:
ICCC/C=C/c1ccc(cc1)OC

Properties

Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.155g/mol
Monoisotopic Mass:
302.017g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.6  

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