Cas no 4485-18-1 ( )
structure
Product Name:
CAS No:4485-18-1
MF:C13H16O2
MW:204.264944076538
CID:929679
PubChem ID:349757
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(2,6-diethylphenyl)acetamide
- 1-Acetyl-6-oxo-8a-methyl-3,4,6,7,8,8a-hexahydro-naphthalin
- 1-Acetyl-8a-methyl-6-oxo-3,4,6,7,8,8a-hexahydro-naphthalin
- 5-acetyl-4a-methyl-4,4a,7,8-tetrahydro-3H-naphthalen-2-one
- 5-Acetyl-4a-methyl-4,4a,7,8-tetrahydro-3H-naphthalin-2-on
- AC1M3BOX
- Ambcb7815677
- 5-acetyl-4a-methyl-3,4,7,8-tetrahydronaphthalen-2-one
- 4485-18-1
- NSC409602
- NSC-409602
-
-
- Inchi： 1S/C13H16O2/c1-9(14)12-5-3-4-10-8-11(15)6-7-13(10,12)2/h5,8H,3-4,6-7H2,1-2H3
- InChI Key： YKVOTHBEIKTNBB-UHFFFAOYSA-N
- SMILES： O=C1C=C2CCC=C(C(C)=O)C2(C)CC1
Computed Properties
- Exact Mass: 486.13821
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 387
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 84.5
- LogP: 2.59120
Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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