Cas no 484-32-2 (1,3-Benzodioxole-5-carboxylicacid, 4-methoxy-)
484-32-2 structure
Product Name:1,3-Benzodioxole-5-carboxylicacid, 4-methoxy-
1,3-Benzodioxole-5-carboxylicacid, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-carboxylicacid, 4-methoxy-
- 4-methoxy-1,3-benzodioxole-5-carboxylic acid
- Benzoicacid, 2-methoxy-3,4-(methylenedioxy)- (6CI,7CI,8CI)
- Croweacic acid
- Croweacinacid
- DTXSID70345798
- Croweacin acid
- 4-Methoxy-1,3-benzodioxole-5-carboxylic acid #
- 484-32-2
- Methoxypiperonylsaure
- VQIHHUFDWODYDO-UHFFFAOYSA-N
-
- Inchi： 1S/C9H8O5/c1-12-7-5(9(10)11)2-3-6-8(7)14-4-13-6/h2-3H,4H2,1H3,(H,10,11)
- InChI Key： VQIHHUFDWODYDO-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C(=O)O)=C(C1=2)OC
Computed Properties
- Exact Mass: 196.03714
- Monoisotopic Mass: 196.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 1.2
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
1,3-Benzodioxole-5-carboxylicacid, 4-methoxy- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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