Cas no 156447-67-5 (Benzoic acid, 3,4-bis(decyloxy)-, methyl ester)
156447-67-5 structure
Product Name:Benzoic acid, 3,4-bis(decyloxy)-, methyl ester
CAS No:156447-67-5
MF:C28H48O4
MW:448.678329467773
CID:1335134
PubChem ID:71354063
Update Time:2025-04-20
Benzoic acid, 3,4-bis(decyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,4-bis(decyloxy)-, methyl ester
- methyl 3,4-didecoxybenzoate
- 156447-67-5
- METHYL 3,4-BIS(DECYLOXY)BENZOATE
- DTXSID70778769
-
- Inchi： 1S/C28H48O4/c1-4-6-8-10-12-14-16-18-22-31-26-21-20-25(28(29)30-3)24-27(26)32-23-19-17-15-13-11-9-7-5-2/h20-21,24H,4-19,22-23H2,1-3H3
- InChI Key： OFVCKZTZIBFHNA-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)OC)C=CC=1OCCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 448.35544
- Monoisotopic Mass: 448.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 22
- Complexity: 426
- 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: 11
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzoic acid, 3,4-bis(decyloxy)-, methyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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