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118125-39-6

118125-39-6 | 5-OxSTART_RECORD

CAS No: 118125-39-6 Catalog No: AG000IG8 MDL No:

Product Description

Catalog Number:
AG000IG8
Chemical Name:
5-OxSTART_RECORD
CAS Number:
118125-39-6
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
IUPAC Name:
4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
InChI:
InChI=1S/C5H7NO4/c1-2-3(4(7)8)10-5(9)6-2/h2-3H,1H3,(H,6,9)(H,7,8)
InChI Key:
HLEWENVVLNOPPW-UHFFFAOYSA-N
SMILES:
O=C1NC(C(O1)C(=O)O)C

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Literature

Title Journal
Nanofibers from oxazolidi-2-one containing hybrid foldamers: what is the right molecular size? Chemistry (Weinheim an der Bergstrasse, Germany) 20090810

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