Cas no 2255-39-2 (5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo-)
2255-39-2 structure
Product Name:5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo-
5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo-
- alpha-Amino-2,3-dihydro-2-oxooxazole-5-acetic acid
- amino(2-oxo-2,3-dihydro-1,3-oxazol-5-yl)acetic acid
- Muscazone
- EINECS 218-853-4
- UNII-K97K88B7WE
- K97K88B7WE
- SCHEMBL17637733
- NS00049163
- MUSCAZONE [MI]
- 2255-39-2
- .ALPHA.-AMINO-2,3-DIHYDRO-2-OXO-5-OXAZOLEACETIC ACID
- DTXSID80893775
- 5-Oxazoleacetic acid, .alpha.-amino-2,3-dihydro-2-oxo-
- Q571037
-
- Inchi： 1S/C5H6N2O4/c6-3(4(8)9)2-1-7-5(10)11-2/h1,3H,6H2,(H,7,10)(H,8,9)
- InChI Key： ASBGWPLVVIASBE-UHFFFAOYSA-N
- SMILES： O1C(NC=C1C(C(=O)O)N)=O
Computed Properties
- Exact Mass: 158.032757
- Monoisotopic Mass: 158.032757
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102
- XLogP3: -3.9
Experimental Properties
- Density: 1.621
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.588
5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo- Security Information
- Hazardous Material transportation number：1544
- HazardClass：6.1(a)
- PackingGroup：II
5-Oxazoleacetic acid, a-amino-2,3-dihydro-2-oxo- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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