Cas no 58618-39-6 (1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester)
58618-39-6 structure
Product Name:1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester
CAS No:58618-39-6
MF:C16H16O4
MW:272.295845031738
CID:385226
PubChem ID:264703
Update Time:2025-04-19
1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester
- diethyl naphthalene-1,8-dicarboxylate
- AC1L6CE0
- AC1Q64KD
- AR-1I4762
- CTK5A8603
- naphthalene-1,8-dicarboxylic acid diethyl ester
- Naphthalin-1,8-dicarbonsaeure-diaethylester
- NCIOpen2_007063
- NSC99902
- SureCN3681837
- DTXSID60295152
- SCHEMBL3681837
- 58618-39-6
- NSC-99902
-
- Inchi： 1S/C16H16O4/c1-3-19-15(17)12-9-5-7-11-8-6-10-13(14(11)12)16(18)20-4-2/h5-10H,3-4H2,1-2H3
- InChI Key： QQVYUYPLQBYRLJ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C2C=CC=C(C(=O)OCC)C2=1)=O
Computed Properties
- Exact Mass: 272.10488
- Monoisotopic Mass: 272.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 320
- 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: 52.6?2
Experimental Properties
- Density: 1.171
- Boiling Point: 400.3°Cat760mmHg
- Flash Point: 199.7°C
- Refractive Index: 1.576
- PSA: 52.6
- LogP: 3.19320
1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
58618-39-6 (1,8-Naphthalenedicarboxylicacid, 1,8-diethyl ester) Related Products
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