Cas no 140646-24-8 (Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester)
![Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/141000/140646-24-8x500.png)
140646-24-8 structure
Product Name:Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester
CAS No:140646-24-8
MF:C12H12ClNO4
MW:269.680982589722
CID:1295161
PubChem ID:85637072
Update Time:2025-04-20
Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester
- DTXSID701178477
- 1,3-Dimethyl 2-[[(3-chlorophenyl)amino]methylene]propanedioate
- 140646-24-8
-
- Inchi： 1S/C12H12ClNO4/c1-17-11(15)10(12(16)18-2)7-14-9-5-3-4-8(13)6-9/h3-7,14H,1-2H3
- InChI Key： WXNWBPNMEYTSAL-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)N/C=C(\C(=O)OC)/C(=O)OC
Computed Properties
- Exact Mass: 269.04556
- Monoisotopic Mass: 269.0454856g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 325
- 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: 3.1
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63
Propanedioic acid, [[(3-chlorophenyl)amino]methylene]-, dimethyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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