Cas no 22658-14-6 (Carbanilic acid,p-hydroxy-, methyl ester, methylcarbamate (ester) (8CI))
22658-14-6 structure
Product Name:Carbanilic acid,p-hydroxy-, methyl ester, methylcarbamate (ester) (8CI)
CAS No:22658-14-6
MF:C10H12N2O4
MW:224.213282585144
CID:281225
PubChem ID:312438
Update Time:2025-04-19
Carbanilic acid,p-hydroxy-, methyl ester, methylcarbamate (ester) (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbanilic acid,p-hydroxy-, methyl ester, methylcarbamate (ester) (8CI)
- [4-(methoxycarbonylamino)phenyl] N-methylcarbamate
- NSC-222495
- 22658-14-6
- DTXSID00310116
- NSC222495
- SCHEMBL12893240
-
- Inchi： 1S/C10H12N2O4/c1-11-9(13)16-8-5-3-7(4-6-8)12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
- InChI Key： VHISEBBHPBKGNE-UHFFFAOYSA-N
- SMILES： O(C(NC)=O)C1C=CC(=CC=1)NC(=O)OC
Computed Properties
- Exact Mass: 224.07976
- Monoisotopic Mass: 224.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 249
- 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: 1.3
- Topological Polar Surface Area: 76.7?2
Experimental Properties
- Density: 1.278
- Boiling Point: 292.2°Cat760mmHg
- Flash Point: 130.5°C
- Refractive Index: 1.566
- PSA: 76.66
Carbanilic acid,p-hydroxy-, methyl ester, methylcarbamate (ester) (8CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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