Cas no 96619-89-5 (Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester)
96619-89-5 structure
Product Name:Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester
CAS No:96619-89-5
MF:C12H14O4
MW:222.237164020538
CID:812659
PubChem ID:11264526
Update Time:2025-04-19
Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester
- methyl 2-allyloxy-m-anisate
- methyl 3-methoxy-2-prop-2-enoxybenzoate
- 96619-89-5
- DTXSID70242374
- NS00065438
- EINECS 306-201-2
- W5T96Z5LWU
- Methyl 3-methoxy-2-(2-propen-1-yloxy)benzoate
- Benzoic acid, 3-methoxy-2-(2-propen-1-yloxy)-, methyl ester
- UNII-W5T96Z5LWU
-
- Inchi： 1S/C12H14O4/c1-4-8-16-11-9(12(13)15-3)6-5-7-10(11)14-2/h4-7H,1,8H2,2-3H3
- InChI Key： LAEJCXAEDSFVBW-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C(=CC=CC=1C(=O)OC)OC
Computed Properties
- Exact Mass: 222.08920892g/mol
- 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: 2.7
- Topological Polar Surface Area: 44.8?2
Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
96619-89-5 (Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-, methyl ester) Related Products
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