200,000+ products from a single source!
sales@angenechem.com
87994-97-6 | 2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-
CAS No: 87994-97-6 Catalog No: AG004O99 MDL No:
Product Description
Catalog Number:
AG004O99
Chemical Name:
2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-
CAS Number:
87994-97-6
Molecular Formula:
C10H13IO
Molecular Weight:
276.1141
IUPAC Name:
4-(3-iodobut-2-enyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H13IO/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2,4,6,9H,3,5,7H2,1H3
InChI Key:
ACWQPYSVHDDREQ-UHFFFAOYSA-N
SMILES:
CC(=CCC1CCC(=O)C=C1)I
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.117g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.