Cas no 2876-75-7 (1-Naphthaleneaceticacid, butyl ester)
2876-75-7 structure
Product Name:1-Naphthaleneaceticacid, butyl ester
CAS No:2876-75-7
MF:C16H18O2
MW:242.312924861908
CID:289994
PubChem ID:239441
Update Time:2025-04-19
1-Naphthaleneaceticacid, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthaleneaceticacid, butyl ester
- butyl 2-naphthalen-1-ylacetate
- Butyl 1-naphthylacetate
- DTXSID20286263
- 1-Naphthaleneaceticacid,butyl ester
- NSC44529
- 2876-75-7
- ONFNCARYSQWBPI-UHFFFAOYSA-N
- NSC-44529
- 1-Naphthaleneacetic acid, butyl ester
- Naphthalene-1-acetic acid butyl ester
- BUTYL 2-(NAPHTHALEN-1-YL)ACETATE
-
- Inchi： 1S/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3
- InChI Key： ONFNCARYSQWBPI-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=C2C=CC=CC=12)=O)CCCC
Computed Properties
- Exact Mass: 242.13074
- Monoisotopic Mass: 242.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 262
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.072
- Boiling Point: 361.2°Cat760mmHg
- Flash Point: 143.6°C
- Refractive Index: 1.568
- PSA: 26.3
1-Naphthaleneaceticacid, butyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
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
2876-75-7 (1-Naphthaleneaceticacid, butyl ester) Related Products
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