Cas no 36873-45-7 (4-Pentenoic acid,2-formyl-, ethyl ester)
36873-45-7 structure
Product Name:4-Pentenoic acid,2-formyl-, ethyl ester
CAS No:36873-45-7
MF:C8H12O3
MW:156.179082870483
CID:315176
PubChem ID:3015869
Update Time:2025-04-19
4-Pentenoic acid,2-formyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid,2-formyl-, ethyl ester
- ethyl 2-formylpent-4-enoate
- Ethyl 2-formylpent-4-en-1-oate
- DTXSID60958073
- NS00057462
- EINECS 253-246-8
- 36873-45-7
-
- Inchi： 1S/C8H12O3/c1-3-5-7(6-9)8(10)11-4-2/h3,6-7H,1,4-5H2,2H3
- InChI Key： YUPFMQXKQATEPA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C=O)CC=C)=O
Computed Properties
- Exact Mass: 156.07866
- Monoisotopic Mass: 156.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 0.995
- Boiling Point: 191.1°Cat760mmHg
- Flash Point: 71.1°C
- Refractive Index: 1.432
- PSA: 43.37
4-Pentenoic acid,2-formyl-, ethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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