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823785-29-1

823785-29-1 | Oxazole, 4,5-dihydro-2,4,4-trimethyl-, perchlorate

CAS No: 823785-29-1 Catalog No: AG008KFQ MDL No:

Product Description

Catalog Number:
AG008KFQ
Chemical Name:
Oxazole, 4,5-dihydro-2,4,4-trimethyl-, perchlorate
CAS Number:
823785-29-1
Molecular Formula:
C6H12ClNO5
Molecular Weight:
213.6162
IUPAC Name:
perchloric acid;2,4,4-trimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C6H11NO.ClHO4/c1-5-7-6(2,3)4-8-5;2-1(3,4)5/h4H2,1-3H3;(H,2,3,4,5)
InChI Key:
BZYPVVDBLKQSRQ-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.CC1=NC(CO1)(C)C

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.614g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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