Cas no 743430-45-7 (Carbamic acid,N-[(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]-)
743430-45-7 structure
Product Name:Carbamic acid,N-[(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]-
CAS No:743430-45-7
MF:C13H17NO2
MW:219.279583692551
CID:560507
Update Time:2024-03-05
Carbamic acid,N-[(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]- Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,N-[(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]-
- Carbamicacid, [(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]- (9CI)
- Carbamic acid, [(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]-
- YPMZMZVHKHOHPH-NTEUORMPSA-N
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- Inchi: 1S/C13H17NO2/c1-10-5-7-11(8-6-10)9-14-12(15)16-13(2,3)4/h5-9H,1-4H3/b14-9+
- InChI Key: YPMZMZVHKHOHPH-NTEUORMPSA-N
- SMILES: C(OC(C)(C)C)(=O)/N=C/C1=CC=C(C)C=C1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
Carbamic acid,N-[(4-methylphenyl)methylene]-, 1,1-dimethylethyl ester, [N(E)]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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