Cas no 36207-16-6 ( )
structure
Product Name:
CAS No:36207-16-6
MF:C12H16O
MW:176.254843711853
CID:921124
PubChem ID:228983
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-ethylphenyl)-2-methylpropanal
- NSC22271
- DTXSID60281631
- SCHEMBL5872655
- NSC-22271
- 3-(4-ethylphenyl)-2-methyl-propanal
- 36207-16-6
- AKOS013990589
- DS-013842
-
-
- Inchi： 1S/C12H16O/c1-3-11-4-6-12(7-5-11)8-10(2)9-13/h4-7,9-10H,3,8H2,1-2H3
- InChI Key： COSSGWHBEHFKRM-UHFFFAOYSA-N
- SMILES： O=CC(C)CC1C=CC(CC)=CC=1
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 145
- 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: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
36207-16-6 ( ) Related Products
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- 16251-77-7(3-phenylbutanal)
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