Cas no 5679-13-0 ( )
structure
Product Name:
CAS No:5679-13-0
MF:C12H12O
MW:172.223083496094
CID:945970
PubChem ID:1551029
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (2Z)-2-benzylidenecyclopentan-1-one
- 1-Benzal-cyclopentanon-(2)
- 2-benzalcyclopentanone
- 2-benzelidenecyclopentanone
- 2-Benzylidenaminopyrimidin
- 2-Benzylidenamino-pyrimidin
- 2-Benzyliden-cyclopentanon
- 2-benzylideneaminopyrimidine
- 2-benzylidenecyclopentanone
- 2-benzylidene-cyclopentanone
- 2-Pyrimidinamine, N-[(1E)-phenylmethylene]-
- benzylidene-pyrimidin-2-yl-amine
- N-(benzylidene)-2-aminopyrimidine
- 5679-13-0
- Z56782493
- HMS1396H05
- SCHEMBL1524525
- (Z)-2-Benzylidenecyclopentanone
- NSC105614
- NSC-105614
-
-
- Inchi： 1S/C12H12O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9-
- InChI Key： ZFJFROHCPHULKY-LUAWRHEFSA-N
- SMILES： O=C1/C(=C\C2C=CC=CC=2)/CCC1
Computed Properties
- Exact Mass: 172.08886
- Monoisotopic Mass: 172.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.125
- Boiling Point: 314.2°C at 760 mmHg
- Flash Point: 126°C
- Refractive Index: 1.621
- PSA: 17.07
- LogP: 2.82300
Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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