Cas no 199604-16-5 (Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester)
199604-16-5 structure
Product Name:Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester
CAS No:199604-16-5
MF:C10H11NO2
MW:177.199842691422
CID:908728
Update Time:2024-06-15
Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester
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- Inchi: 1S/C10H11NO2/c1-8-3-5-9(6-4-8)7-11-10(12)13-2/h3-7H,1-2H3
- InChI Key: JJIZKBSNCVIUQT-UHFFFAOYSA-N
- SMILES: C(OC)(=O)N=CC1=CC=C(C)C=C1
Computed Properties
- Exact Mass: 177.07903
- Monoisotopic Mass: 177.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- 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
- Topological Polar Surface Area: 38.7A^2
Experimental Properties
- PSA: 38.66
Carbamic acid, N-[(4-methylphenyl)methylene]-, methyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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