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Home> Encyclopedia > Hot Product Listed 2   > 2H-Pyrido[1,2-a]pyrazine-2-carboxylicacid, octahydro-7-(hydroxymethyl)-, 1,1-dimethylethyl ester, (7...
67923-81-3 structure

2H-Pyrido[1,2-a]pyrazine-2-carboxylicacid, octahydro-7-(hydroxymethyl)-, 1,1-dimethylethyl ester, (7S,9aR)-

Iupac Name:butyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol;prop-2-enoic acid;styrene
CAS No.:67923-81-3
Molecular Weight:466.571
Molecular Formula:C8H10N2O2 (isomer)
Names and Identifiers
Synonyms

2H-Pyrido[1,2-a]pyrazine-2-carboxylicacid, octahydro-7-(hydroxymethyl)-, 1,1-dimethylethyl ester, (7S-cis)-

Inchi
InChI=1S/C8H8.C7H12O2.C4H6O2.C3H8O2.C3H4O2/c1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-3(2)4(5)6;1-3(5)2-4;1-2-3(4)5/h2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2H3,(H,5,6);3-5H,2H2,1H3;2H,1H2,(H,4,5)
InChkey
VRZWSLPVPMWEAY-UHFFFAOYSA-N
Canonical Smiles
CCCCOC(=O)C=C.CC(CO)O.CC(=C)C(=O)O.C=CC1=CC=CC=C1.C=CC(=O)O
Properties
Density
1.045
Boiling Point
220.1°C at 760 mmHg
Flash Point
55°C
Computational chemical data
  • Molecular Weight:466.571g/mol
  • Molecular Formula:C8H10N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:466.257
  • Monoisotopic Mass:466.257
  • Complexity:326
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:5
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Recommended Suppliers
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-760-23114536
  • Fax:86-760-23032305
 
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