Cas no 138145-57-0 (Pentanedinitrile, 3-(phenylmethoxy)-)
138145-57-0 structure
Product Name:Pentanedinitrile, 3-(phenylmethoxy)-
CAS No:138145-57-0
MF:C12H12N2O
MW:200.236482620239
CID:1251183
PubChem ID:11117064
Update Time:2025-04-20
Pentanedinitrile, 3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedinitrile, 3-(phenylmethoxy)-
- 3-phenylmethoxypentanedinitrile
- 3-(Benzyloxy)glutaronitrile
- 138145-57-0
- DTXSID60455794
-
- Inchi： 1S/C12H12N2O/c13-8-6-12(7-9-14)15-10-11-4-2-1-3-5-11/h1-5,12H,6-7,10H2
- InChI Key： SRMNKARFDXCIQY-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(CC#N)CC#N
Computed Properties
- Exact Mass: 200.09506
- Monoisotopic Mass: 200.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 246
- 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: 1
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
Pentanedinitrile, 3-(phenylmethoxy)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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