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87994-98-7 | 2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl-
CAS No: 87994-98-7 Catalog No: AG004O98 MDL No:
Product Description
Catalog Number:
AG004O98
Chemical Name:
2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl-
CAS Number:
87994-98-7
Molecular Formula:
C11H15IO
Molecular Weight:
290.1407
IUPAC Name:
4-(3-iodobut-2-enyl)-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C11H15IO/c1-9(12)3-6-11(2)7-4-10(13)5-8-11/h3-4,7H,5-6,8H2,1-2H3
InChI Key:
OJZJKLMLDZYAMI-UHFFFAOYSA-N
SMILES:
CC1(CC=C(I)C)CCC(=O)C=C1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.144g/mol
Monoisotopic Mass:
290.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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