Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed R   > (R)-3,4-Dihydro-8-methoxy-3,5-dimethylisocoumarin
72894-16-7 structure

(R)-3,4-Dihydro-8-methoxy-3,5-dimethylisocoumarin

Iupac Name:dimethyl 2-heptylpropanedioate
CAS No.:72894-16-7
EINECS(EC#): 231-795-4
Molecular Weight:230.304
Molecular Formula:C9H6CLNO2 (isomer)
Names and Identifiers
Synonyms

8-methoxy-3,5-dimethyl-3,4-dihydro-1h-isochromen-1-one # isocoumarin, 3,4-dihydro-8-methoxy-3,5-dimethyl-, (r)- PUHAIJJCXSKQQD-MRVPVSSYSA-N

Inchi
InChI=1S/C12H22O4/c1-4-5-6-7-8-9-10(11(13)15-2)12(14)16-3/h10H,4-9H2,1-3H3
InChkey
UPVFLKZRQSPLQQ-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCC(C(=O)OC)C(=O)OC
Properties
Boiling Point
442.527°C at 760 mmHg
Refractive Index
1.435
Flash Point
153.6°C
Reach Info
Computational chemical data
  • Molecular Weight:230.304g/mol
  • Molecular Formula:C9H6CLNO2
  • Compound Is Canonicalized:True
  • Exact Mass:230.152
  • Monoisotopic Mass:230.152
  • Complexity:197
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<