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Substance Name: Malic acid, compound with (E)-3-(2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl)phenol (1:1)
RN: 94135-23-6
InChIKey: STWDAACNOHENPP-UHDJGPCESA-N

Molecular Formula

  • C13-H16-N2-O.C4-H6-O5

Molecular Weight

  • 350.3688
 
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Names and Synonyms

Synonym

  • EINECS 302-893-5

Systematic Name

  • Malic acid, compound with (E)-3-(2-(1,4,5,6-tetrahydro-1-methylpyrimidin-2-yl)vinyl)phenol (1:1)

Registry Numbers

CAS Registry Number

  • 94135-23-6

System Generated Number

  • 0094135236

Molecular Formulas

Molecular Formula

  • C13-H16-N2-O.C4-H6-O5

Molecular Formula Fragments

  • C13-H16-N2-O
  • C4-H6-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16N2O.C4H6O5/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11;5-2(4(8)9)1-3(6)7/h2,4-7,10,16H,3,8-9H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)/b7-6+;

InChIKey

STWDAACNOHENPP-UHDJGPCESA-N

Smiles

C1(=NCCCN1C)/C=C/c1cc(O)ccc1.C(C(=O)O)C(C(=O)O)O