Cas no 96619-88-4 (Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-)
96619-88-4 structure
Product Name:Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-
CAS No:96619-88-4
MF:C11H12O4
MW:208.210583686829
CID:809949
PubChem ID:3024603
Update Time:2025-04-19
Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)-
- 2-allyloxy-m-anisic acid
- 3-methoxy-2-prop-2-enoxybenzoic acid
- 96619-88-4
- 2-Allyloxy-3-methoxy-benzoic acid
- EINECS 306-200-7
- YOAIHTMTCQXBPI-UHFFFAOYSA-N
- 2E7PPL24PH
- AKOS000282497
- 3-Methoxy-2-(2-propen-1-yloxy)benzoic acid
- SCHEMBL668774
- Benzoic acid, 3-methoxy-2-(2-propen-1-yloxy)-
- DTXSID10242373
- NS00066250
-
- Inchi： 1S/C11H12O4/c1-3-7-15-10-8(11(12)13)5-4-6-9(10)14-2/h3-6H,1,7H2,2H3,(H,12,13)
- InChI Key： YOAIHTMTCQXBPI-UHFFFAOYSA-N
- SMILES： O(CC=C)C1C(=CC=CC=1C(=O)O)OC
Computed Properties
- Exact Mass: 208.074
- Monoisotopic Mass: 208.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 227
- 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: 2.4
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.169
- Boiling Point: 340.6°Cat760mmHg
- Flash Point: 131.6°C
- Refractive Index: 1.536
Benzoic acid,3-methoxy-2-(2-propen-1-yloxy)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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