Cas no 24330-46-9 (Nitrous acid, 2-phenylethyl ester)
24330-46-9 structure
Product Name:Nitrous acid, 2-phenylethyl ester
CAS No:24330-46-9
MF:C8H9NO2
MW:151.162562131882
CID:1416811
PubChem ID:6327622
Update Time:2025-04-20
Nitrous acid, 2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nitrous acid, 2-phenylethyl ester
- 2-phenylethyl nitrite
- DTXSID80422544
- SCHEMBL3819917
- 24330-46-9
- phenethyl nitrite
-
- Inchi： 1S/C8H9NO2/c10-9-11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key： UYFFAINCSURFJZ-UHFFFAOYSA-N
- SMILES： O(CCC1C=CC=CC=1)N=O
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 111
- 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
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Nitrous acid, 2-phenylethyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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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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