200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116191-67-4
116191-67-4 | 1,7-Naphthalenedione, 2-ethyl-2,3,4,4a,5,6-hexahydro-4a,8-dimethyl-
CAS No: 116191-67-4 Catalog No: AG000BVD MDL No:
Product Description
Catalog Number:
AG000BVD
Chemical Name:
1,7-Naphthalenedione, 2-ethyl-2,3,4,4a,5,6-hexahydro-4a,8-dimethyl-
CAS Number:
116191-67-4
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
2-ethyl-4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
InChI:
InChI=1S/C14H20O2/c1-4-10-5-7-14(3)8-6-11(15)9(2)12(14)13(10)16/h10H,4-8H2,1-3H3
InChI Key:
AROBCNDVYRZUDJ-UHFFFAOYSA-N
SMILES:
CCC1CCC2(C(=C(C)C(=O)CC2)C1=O)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.