Cas no 27432-39-9 (2-Butanone,1-(2-methoxyphenyl)-)

2-Butanone,1-(2-methoxyphenyl)- structure
27432-39-9 structure
Product Name:2-Butanone,1-(2-methoxyphenyl)-
CAS No:27432-39-9
MF:C11H14O2
MW:178.227663516998
MDL:MFCD12827315
CID:288095
PubChem ID:3015376
Update Time:2023-10-30

2-Butanone,1-(2-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butanone,1-(2-methoxyphenyl)-
    • 1-(2-Methoxyphenyl)butan-2-one
    • EINECS 248-457-7
    • CBA43239
    • AB90363
    • T6XNP79BLK
    • DTXSID50181853
    • N14171
    • 27432-39-9
    • 2-Butanone, 1-(2-methoxyphenyl)-
    • 1-(2-methoxyphenyl)-butan-2-one
    • 1-(2-methoxyphenyl)-2-butanone
    • SCHEMBL4479762
    • 2-Butanone, 1-(o-methoxyphenyl)-
    • MDL: MFCD12827315
    • Inchi: 1S/C11H14O2/c1-3-10(12)8-9-6-4-5-7-11(9)13-2/h4-7H,3,8H2,1-2H3
    • InChI Key: XGXSLZMKKZHYTA-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC=CC=1CC(CC)=O

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 166
  • 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: 2.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.01
  • Boiling Point: 256.9°Cat760mmHg
  • Flash Point: 101.6°C
  • Refractive Index: 1.498
  • PSA: 26.3

2-Butanone,1-(2-methoxyphenyl)- Pricemore >>

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