Cas no 27593-61-9 (Carbamic acid, (phenylmethylene)-, methyl ester)
27593-61-9 structure
Product Name:Carbamic acid, (phenylmethylene)-, methyl ester
CAS No:27593-61-9
MF:C9H9NO2
MW:163.173262357712
CID:1432257
PubChem ID:21672874
Update Time:2025-04-20
Carbamic acid, (phenylmethylene)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (phenylmethylene)-, methyl ester
- methyl N-benzylidenecarbamate
- 27593-61-9
- Methyl benzylidenecarbamate
- DTXSID10616712
-
- Inchi： 1S/C9H9NO2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： FQGYIIAXHJMRLC-UHFFFAOYSA-N
- SMILES： O(C)C(N=CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 163.06337
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Carbamic acid, (phenylmethylene)-, methyl ester Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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