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Home> Hot Product Listed T   > T6257929
61790-12-3 structure

T6257929

CAS No.:61790-12-3
Molecular Weight:397.41476
Molecular Formula:C19H25CLN2 (isomer)
Names and Identifiers
Synonyms

3-(2-oxo-2,3-dihydro-1h-1,3-benzodiazol-1-yl)propyl 1,5-dioxo-4-(prop-2-en-1-yl)-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinazoline-3a-carboxylate 3-(2-oxo-3h-1,3-benzodiazol-1-yl)propyl 1,5-dioxo-4-(prop-2-en-1-yl)-2h,3h-pyrrolo[1,2-a]quinazoline-3a-carboxylate MCULE-7045819996 MOLPORT-005-695-097 Z114136622

Inchi
InChI=1S/2C10H18O2.Co/c2*1-2-8-3-4-9(7-8)5-6-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2
InChkey
XSWKLHINRKWMTD-UHFFFAOYSA-L
Canonical Smiles
CCC1CCC(C1)CCC(=O)[O-].CCC1CCC(C1)CCC(=O)[O-].[Co+2]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 61790-12-3 EC: T6257929 ·ECHA C&L Inventory for CAS: CAS: 61790-12-3 EC: T6257929
Computational chemical data
  • Molecular Weight:397.41476g/mol
  • Molecular Formula:C19H25CLN2
  • Exact Mass:397.17891
  • Monoisotopic Mass:397.17891
  • Complexity:148
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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