Cas no 95645-01-5 (Benzene, 2-isocyanato-4-methoxy-1,3-dimethyl-)
95645-01-5 structure
Product Name:Benzene, 2-isocyanato-4-methoxy-1,3-dimethyl-
CAS No:95645-01-5
MF:C10H11NO2
MW:177.199842691422
CID:4353642
PubChem ID:13369968
Update Time:2025-04-24
Benzene, 2-isocyanato-4-methoxy-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-isocyanato-4-methoxy-1,3-dimethyl-
- 95645-01-5
- SCHEMBL10732712
- 2-isocyanato-4-methoxy-1,3-dimethylbenzene
- DTXSID101268460
-
- Inchi： 1S/C10H11NO2/c1-7-4-5-9(13-3)8(2)10(7)11-6-12/h4-5H,1-3H3
- InChI Key： DUOILWUBJROOET-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=C(C)C(=C1C)N=C=O
Computed Properties
- Exact Mass: 177.078978594g/mol
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 211
- 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: 3.4
- Topological Polar Surface Area: 38.7?2
Benzene, 2-isocyanato-4-methoxy-1,3-dimethyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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