Cas no 844634-13-5 (Butanoic acid, 4-formyl-2-methoxyphenyl ester)
844634-13-5 structure
Product Name:Butanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No:844634-13-5
MF:C12H14O4
MW:222.237164020538
CID:667160
PubChem ID:12103056
Update Time:2025-04-19
Butanoic acid, 4-formyl-2-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-formyl-2-methoxyphenyl ester
- (4-formyl-2-methoxyphenyl) butanoate
- SCHEMBL891609
- 844634-13-5
- DTXSID20477619
-
- Inchi： 1S/C12H14O4/c1-3-4-12(14)16-10-6-5-9(8-13)7-11(10)15-2/h5-8H,3-4H2,1-2H3
- InChI Key： FWHDAFFMONQTTP-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C1C=CC(C=O)=CC=1OC
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: 1.9
- Topological Polar Surface Area: 52.6?2
Butanoic acid, 4-formyl-2-methoxyphenyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
844634-13-5 (Butanoic acid, 4-formyl-2-methoxyphenyl ester) Related Products
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