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29584-94-9 | 5-Isopropyl-4-methyloxazole 1,2-ethanedisulfonate hydrate
CAS No: 29584-94-9 Catalog No: AG00BUTC MDL No:
Product Description
Catalog Number:
AG00BUTC
Chemical Name:
5-Isopropyl-4-methyloxazole 1,2-ethanedisulfonate hydrate
CAS Number:
29584-94-9
IUPAC Name:
ethane-1,2-disulfonic acid;4-methyl-5-propan-2-yl-1,3-oxazole
InChI:
InChI=1S/C7H11NO.C2H6O6S2/c1-5(2)7-6(3)8-4-9-7;3-9(4,5)1-2-10(6,7)8/h4-5H,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChI Key:
FPIDWSQLHCVTFO-UHFFFAOYSA-N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.355g/mol
Monoisotopic Mass:
315.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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