Cas no 652976-14-2 (2-Propenoic acid, 3-(formylmethylamino)-, 2-propenyl ester, (2E)-)
652976-14-2 structure
Product Name:2-Propenoic acid, 3-(formylmethylamino)-, 2-propenyl ester, (2E)-
CAS No:652976-14-2
MF:C8H11NO3
MW:169.177842378616
CID:401273
PubChem ID:71376252
Update Time:2025-04-19
2-Propenoic acid, 3-(formylmethylamino)-, 2-propenyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 3-(formylmethylamino)-, 2-propenyl ester, (2E)-
- prop-2-enyl 3-(2-oxoethylamino)prop-2-enoate
- DTXSID10798961
- Prop-2-en-1-yl 3-[(2-oxoethyl)amino]prop-2-enoate
- 652976-14-2
-
- Inchi： 1S/C8H11NO3/c1-2-7-12-8(11)3-4-9-5-6-10/h2-4,6,9H,1,5,7H2
- InChI Key： XAEAGKGUDKKNLQ-UHFFFAOYSA-N
- SMILES： O(C(C=CNCC=O)=O)CC=C
Computed Properties
- Exact Mass: 169.07393
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- 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: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
2-Propenoic acid, 3-(formylmethylamino)-, 2-propenyl ester, (2E)- Related Literature
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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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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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