200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 70353-45-6
70353-45-6 | 1-BICYCLO[2.2.1]HEPT-5-EN-2-YLPENTANE-1,4-DIONE
CAS No: 70353-45-6 Catalog No: AG005JVC MDL No:
Product Description
Catalog Number:
AG005JVC
Chemical Name:
1-BICYCLO[2.2.1]HEPT-5-EN-2-YLPENTANE-1,4-DIONE
CAS Number:
70353-45-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
1-(2-bicyclo[2.2.1]hept-5-enyl)pentane-1,4-dione
InChI:
InChI=1S/C12H16O2/c1-8(13)2-5-12(14)11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-7H2,1H3
InChI Key:
SOUKUPRSHRMDND-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)C1CC2CC1C=C2
EC Number:
274-576-9
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
© 2019 Angene International Limited. All rights Reserved.