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88070-99-9

88070-99-9 | 2H-Pyran-2-one, tetrahydro-6-(iodomethylene)-3-(1-naphthalenyl)-, (E)-

CAS No: 88070-99-9 Catalog No: AG004EU1 MDL No:

Product Description

Catalog Number:
AG004EU1
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(iodomethylene)-3-(1-naphthalenyl)-, (E)-
CAS Number:
88070-99-9
Molecular Formula:
C16H13IO2
Molecular Weight:
364.1777
IUPAC Name:
6-(iodomethylidene)-3-naphthalen-1-yloxan-2-one
InChI:
InChI=1S/C16H13IO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2
InChI Key:
ZJGPRRLHNMNINO-UHFFFAOYSA-N
SMILES:
I/C=C/1\CCC(C(=O)O1)c1cccc2c1cccc2

Properties

Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.996g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.182g/mol
Monoisotopic Mass:
363.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.4  

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