Cas no 138450-70-1 (Acetic acid, chlorooxo-, (acetyloxy)methyl ester)
138450-70-1 structure
Product Name:Acetic acid, chlorooxo-, (acetyloxy)methyl ester
CAS No:138450-70-1
MF:C5H5ClO5
MW:180.543201208115
CID:2773016
PubChem ID:10910166
Update Time:2025-04-21
Acetic acid, chlorooxo-, (acetyloxy)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 138450-70-1
- Acetic acid, chlorooxo-, (acetyloxy)methyl ester
- SCHEMBL9311639
- DTXSID30448017
-
- Inchi: 1S/C5H5ClO5/c1-3(7)10-2-11-5(9)4(6)8/h2H2,1H3
- InChI Key: NBTAZNSKVOCKNS-UHFFFAOYSA-N
- SMILES: ClC(C(=O)OCOC(C)=O)=O
Computed Properties
- Exact Mass: 179.9825509Da
- Monoisotopic Mass: 179.9825509Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 187
- 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
- Topological Polar Surface Area: 69.7?2
Acetic acid, chlorooxo-, (acetyloxy)methyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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