Cas no 171002-53-2 (Benzoic acid, 3-methoxy-4-(2-propenyloxy)-, methyl ester)
171002-53-2 structure
Product Name:Benzoic acid, 3-methoxy-4-(2-propenyloxy)-, methyl ester
CAS No:171002-53-2
MF:C12H14O4
MW:222.237164020538
CID:1353410
PubChem ID:16276613
Update Time:2025-04-20
Benzoic acid, 3-methoxy-4-(2-propenyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-methoxy-4-(2-propenyloxy)-, methyl ester
- methyl 3-methoxy-4-(2-propenoxy)benzoate
- methyl 4-(allyloxy)-3-methoxybenzoate
- AKOS034440251
- 171002-53-2
- Z54342345
- AUCXOUGPRYLRAJ-UHFFFAOYSA-
- InChI=1/C12H14O4/c1-4-7-16-10-6-5-9(12(13)15-3)8-11(10)14-2/h4-6,8H,1,7H2,2-3H3
- SCHEMBL3547607
- DA-09356
- AB00983631-01
-
- Inchi： 1S/C12H14O4/c1-4-7-16-10-6-5-9(12(13)15-3)8-11(10)14-2/h4-6,8H,1,7H2,2-3H3
- InChI Key： AUCXOUGPRYLRAJ-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C=CC(C(=O)OC)=CC=1OC
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 239
- 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: 2.6
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzoic acid, 3-methoxy-4-(2-propenyloxy)-, methyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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