Cas no 54012-55-4 ( )
structure
Product Name:
CAS No:54012-55-4
MF:C11H11NO3
MW:205.209943056107
CID:939470
PubChem ID:686489
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-methylanilino)-4-oxobut-2-enoic acid
- [(3-methylphenyl)imino]diethane-2,1-diyl bis[(4-methylphenyl)carbamate]
- AC1L6KL7
- AC1Q67RE
- AG-K-43598
- AR-1A8320
- CTK4D6337
- KST-1A2079
- Maleinsaeure-mono-m-toluidid
- N-m-Tolylimino-di-(ethyl-p-methylcarbanilat)
- N-m-Tolylimino-di-< ethyl-p-methylcarbanilat>
- N-m-tolyl-maleamic acid
- N-m-Tolyl-maleamidsaeure
- NSC108886
- CS-0323320
- NSC-166477
- (2E)-3-[(3-METHYLPHENYL)CARBAMOYL]PROP-2-ENOIC ACID
- SR-01000582290
- SR-01000582290-1
- 54012-55-4
- SCHEMBL11430071
- (E)-4-Oxo-4-(m-tolylamino)but-2-enoic acid
- NSC166477
- 4-Oxo-4-(m-tolylamino)but-2-enoic acid
- SCHEMBL7826719
- (E)-4-(3-methylanilino)-4-oxobut-2-enoic acid
- (2E)-4-[(3-methylphenyl)amino]-4-oxobut-2-enoic acid
- CCG-245301
- AKOS000521012
- 37904-19-1
- LS-07403
- MFCD00185897
-
-
- Inchi： 1S/C11H11NO3/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b6-5+
- InChI Key： GTNDLSMAJWWVCH-AATRIKPKSA-N
- SMILES： O=C(/C=C/C(=O)O)NC1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 205.07393
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
- LogP: 1.64730
Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
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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