Cas no 7572-40-9 (2-Propynoic acid, 3-(3-chlorophenyl)-, methyl ester)
7572-40-9 structure
Product Name:2-Propynoic acid, 3-(3-chlorophenyl)-, methyl ester
CAS No:7572-40-9
MF:C10H7ClO2
MW:194.61438202858
CID:539061
PubChem ID:12294916
Update Time:2025-04-19
2-Propynoic acid, 3-(3-chlorophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propynoic acid, 3-(3-chlorophenyl)-, methyl ester
- methyl 3-(3-chlorophenyl)prop-2-ynoate
- AKOS013859488
- (3-Chloro-phenyl)-propynoic acid methyl ester
- 7572-40-9
- DTXSID60485394
- SCHEMBL11544870
-
- Inchi： 1S/C10H7ClO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,1H3
- InChI Key： PTGOHFYICMWCAG-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C#CC(=O)OC)=C1
Computed Properties
- Exact Mass: 194.01351
- Monoisotopic Mass: 194.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propynoic acid, 3-(3-chlorophenyl)-, methyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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