Cas no 94-77-9 (NA)
NA structure
Product Name:NA
CAS No:94-77-9
MF:C14H14O2
MW:214.259764194489
CID:844824
PubChem ID:15664656
Update Time:2025-04-19
NA Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-benzoyl-4-chlorophenoxy)-N-methylpropionamide
- 2,4-dihydroxybibenzyl
- 4-Phenethylbenzene-1,3-diol
- 4-Phenethylresorcinol
- 4-(1-phenethyl)resorcinol
- 4-(2-Phenylethyl)-1,3-benzenediol
- DTXSID301034437
- CHEMBL2206925
- 4-(2-phenylethyl)benzene-1,3-diol
- BDBM111099
- US9682910, 4-Phenethylbenzene-1,3-diol (12)
- 4-(2-Phenylethyl)resorcinol
- SCHEMBL70564
- 94-77-9
- NA
-
- Inchi： 1S/C14H14O2/c15-13-9-8-12(14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
- InChI Key： ANTLBIMVNRRJNP-UHFFFAOYSA-N
- SMILES： OC1C=C(C=CC=1CCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 214.099379685g/mol
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 199
- 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: 3.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.191±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 133-134 oC (ethanol )
- Solubility: Very slightly soluble (0.11 g/l) (25 o C),
NA Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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