200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 827606-22-4
827606-22-4 | 1,4-Naphthalenedione, 3-cyclohexyl-6-methyl-2-(1-methylethoxy)-
CAS No: 827606-22-4 Catalog No: AG004YSX MDL No:
Product Description
Catalog Number:
AG004YSX
Chemical Name:
1,4-Naphthalenedione, 3-cyclohexyl-6-methyl-2-(1-methylethoxy)-
CAS Number:
827606-22-4
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
IUPAC Name:
3-cyclohexyl-6-methyl-2-propan-2-yloxynaphthalene-1,4-dione
InChI:
InChI=1S/C20H24O3/c1-12(2)23-20-17(14-7-5-4-6-8-14)18(21)16-11-13(3)9-10-15(16)19(20)22/h9-12,14H,4-8H2,1-3H3
InChI Key:
IFVXYXVBTWTJDV-UHFFFAOYSA-N
SMILES:
CC(OC1=C(C2CCCCC2)C(=O)c2c(C1=O)ccc(c2)C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
© 2019 Angene International Limited. All rights Reserved.