Cas no 36440-28-5 (1,3,5-Naphthalenetricarboxylic acid, 1,3,5-trimethyl ester)
36440-28-5 structure
Product Name:1,3,5-Naphthalenetricarboxylic acid, 1,3,5-trimethyl ester
CAS No:36440-28-5
MF:C16H14O6
MW:302.278765201569
CID:921359
Update Time:2023-11-19
1,3,5-Naphthalenetricarboxylic acid, 1,3,5-trimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-tricarbomethoxynaphthalene
- Trimethyl 1,3,5-naphthalenetricarboxylate
- CID 101078786
- 1,3,5-Naphthalenetricarboxylic acid, 1,3,5-trimethyl ester
-
- Inchi： 1S/C16H14O6/c1-20-14(17)9-7-12-10(13(8-9)16(19)22-3)5-4-6-11(12)15(18)21-2/h4-8H,1-3H3
- InChI Key： VOEJQMXLFMQHSU-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C(=O)OC)C=C2C(C(=O)OC)=CC=CC2=1)=O
Computed Properties
- Exact Mass: 302.079
- Monoisotopic Mass: 302.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 446
- 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
- Topological Polar Surface Area: 78.9
Experimental Properties
- Density: 1.274±0.06 g/cm3(Predicted)
- Boiling Point: 438.3±25.0 °C(Predicted)
1,3,5-Naphthalenetricarboxylic acid, 1,3,5-trimethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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