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Home> Hot Product Listed 2   > 2-methyloxirane-2-carbaldehyde
119707-35-6 structure

2-methyloxirane-2-carbaldehyde

Iupac Name:4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:119707-35-6
Molecular Weight:147.181
Molecular Formula:C21H19F27N2O (isomer)
Names and Identifiers
Synonyms

2,3-Epoxybutanal 2-Methyl-2-oxiranecarbaldehyde Einecs 258-179-8

Inchi
InChI=1S/C8H9N3/c1-5-3-7-6(2)9-4-10-8(7)11-5/h3-4H,1-2H3,(H,9,10,11)
InChkey
QOTQVOHRAMMMAW-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(N=CN=C2N1)C
Properties
Density
1.109
Boiling Point
255.6°Cat760mmHg
Flash Point
172.6°C
Computational chemical data
  • Molecular Weight:147.181g/mol
  • Molecular Formula:C21H19F27N2O
  • Compound Is Canonicalized:True
  • Exact Mass:147.08
  • Monoisotopic Mass:147.08
  • Complexity:148
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:11
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAAQAAAADAiBHwQ3sN7JkACg AyZjZACCgCmxAqAB2SA4ZJiIKOLA2dGEBAhokALIyCcQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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