Cas no 30932-68-4 ( )
structure
Product Name:
CAS No:30932-68-4
MF:C9H10N2O3
MW:194.187302112579
CID:916268
PubChem ID:350292
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(carbamoylamino)benzoate
- (4-Carbomethoxy-phenyl)-harnstoff
- 4-Ureido-benzoesaeure-methylester
- 4-ureido-benzoic acid methyl ester
- AC1L6VYN
- methyl 4-ureidobenzoate
- Methyl-4-ureidobenzoat
- NSC509299
- T6226774
- 30932-68-4
- DB-119455
- SCHEMBL20764440
- 1-[4-(Methoxycarbonyl)phenyl]urea
- AKOS008909304
- NSC-509299
- Z24133895
- DTXSID00325503
-
-
- Inchi： 1S/C9H10N2O3/c1-14-8(12)6-2-4-7(5-3-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
- InChI Key： KGMJUOYXNFIYEO-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)NC(N)=O)=O
Computed Properties
- Exact Mass: 194.0692
- Monoisotopic Mass: 194.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 1.2
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 81.42
- LogP: 1.73710
Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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