Cas no 61682-29-9 ((1Z)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one oxime)
61682-29-9 structure
Product Name:(1Z)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one oxime
CAS No:61682-29-9
MF:C12H13NO
MW:187.237723112106
CID:1628674
PubChem ID:5468825
Update Time:2025-04-21
(1Z)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one oxime Chemical and Physical Properties
Names and Identifiers
-
- (1Z)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one oxime
- (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
- 61682-29-9
- 3,5,6,7-Tetrahydro-s-indacen-1(2H)-one oxime
- 1-Oximino-s-hydrindacene
- 3,5,6,7-tetrahydro-2H-s-indacen-1-one oxime
- NSC677011
- VUFB10,095
- BRN 2094809
- s-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-, oxime
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- Inchi： 1S/C12H13NO/c14-13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,14H,1-5H2/b13-12-
- InChI Key： WWSUHMFQLNZTPL-SEYXRHQNSA-N
- SMILES： O/N=C1/CCC2=CC3CCCC=3C=C2/1
Computed Properties
- Exact Mass: 187.09979
- Monoisotopic Mass: 187.099714
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.6
- XLogP3: 2.8
Experimental Properties
- Density: 1.31
- Boiling Point: 359.1°C at 760 mmHg
- Flash Point: 225.4°C
- Refractive Index: 1.686
- PSA: 32.59
(1Z)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one oxime Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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