Cas no 897-16-5 ((2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile)

(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile structure
897-16-5 structure
Product Name:(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile
CAS No:897-16-5
MF:C18H12N2O
MW:272.30068397522
CID:993830
PubChem ID:347782
Update Time:2025-04-20

(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-naphthalen-1-ylacetonitrile
    • NSC-406638
    • NSC406638
    • 897-16-5
    • DTXSID00324399
    • (2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile
    • Inchi: 1S/C18H12N2O/c19-12-18(14-8-10-15(20-21)11-9-14)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H/b18-14-,20-15+
    • InChI Key: LDOFYDOKXUBHHJ-FTUXADHQSA-N
    • SMILES: ON=C1C=CC(C=C1)=C(C#N)C1=CC=CC2C=CC=CC1=2 |c:1,8|

Computed Properties

  • Exact Mass: 272.095
  • Monoisotopic Mass: 272.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 555
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 56.4?2

Experimental Properties

  • Density: 1.15
  • Boiling Point: 497.3°C at 760 mmHg
  • Flash Point: 254.5°C
  • Refractive Index: 1.628
  • PSA: 56.38000
  • LogP: 4.07318

(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile Related Literature

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