Cas no 54335-82-9 (Benzaldehyde,3-[[(methylamino)carbonyl]oxy]-)
![Benzaldehyde,3-[[(methylamino)carbonyl]oxy]- structure](https://ossimg.kuujia.com/scimg/54500/54335-82-9x500.png)
54335-82-9 structure
Product Name:Benzaldehyde,3-[[(methylamino)carbonyl]oxy]-
CAS No:54335-82-9
MF:C9H9NO3
MW:179.172662496567
CID:379066
PubChem ID:235375
Update Time:2025-04-19
Benzaldehyde,3-[[(methylamino)carbonyl]oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-[[(methylamino)carbonyl]oxy]-
- 3-Formylphenyl-N-methylcarbamate
- 3-(toluene-4-sulfonyloxy)-benzaldehyde
- 3-(Toluol-4-sulfonyloxy)-benzaldehyd
- 3-(tosyloxy)benzaldehyde
- 3-formyl 4-methylbenzenesulfonate
- 3-formylphenyl 4-methylbenzenesulfonate
- 3-formylphenyl p-toluenesulfonate
- 3-Formylphenyl-N-methylcarbamat
- 3-tosyloxybenzaldehyde
- AC1NMZHT
- BBL023935
- CTK2I7441
- N-methyl-carbamic acid 3-formyl-phenyl ester
- STK187130
- CHEMBL3249289
- N-ME-3-FORMYLPHENYLCARBAMATE
- DTXSID40879772
- NSC-109051
- NSC36642
- NSC109051
- 54335-82-9
- NSC-36642
-
- Inchi： 1S/C9H9NO3/c1-10-9(12)13-8-4-2-3-7(5-8)6-11/h2-6H,1H3,(H,10,12)
- InChI Key： OAJCIVFVLYNXOT-UHFFFAOYSA-N
- SMILES： O(C(NC)=O)C1C=CC=C(C=O)C=1
Computed Properties
- Exact Mass: 179.05827
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 193
- 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: 0.9
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Benzaldehyde,3-[[(methylamino)carbonyl]oxy]- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
54335-82-9 (Benzaldehyde,3-[[(methylamino)carbonyl]oxy]-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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