Cas no 53531-11-6 (benzyl naphthalene-2-carboxylate)
53531-11-6 structure
Product Name:benzyl naphthalene-2-carboxylate
CAS No:53531-11-6
MF:C18H14O2
MW:262.302565097809
CID:1582807
PubChem ID:6452844
Update Time:2025-04-21
benzyl naphthalene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- benzyl naphthalene-2-carboxylate
- 2-Naphthalenecarboxylic acid, phenylmethyl ester
- 53531-11-6
- DTXSID90201746
- benzyl-2-naphthoate
- NNHOWTWENRJEMQ-UHFFFAOYSA-N
- SCHEMBL2706461
-
- Inchi： 1S/C18H14O2/c19-18(20-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
- InChI Key： NNHOWTWENRJEMQ-UHFFFAOYSA-N
- SMILES： O(C(C1=CC=C2C=CC=CC2=C1)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 262.09942
- Monoisotopic Mass: 262.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 319
- 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: 5.2
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.18
- Boiling Point: 420.3°C at 760 mmHg
- Flash Point: 192°C
- Refractive Index: 1.643
- PSA: 26.3
benzyl naphthalene-2-carboxylate Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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