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6764-43-8 | 2-methylbenzoxazole-5-sulphonic acid
CAS No: 6764-43-8 Catalog No: AG00FFEP MDL No:
Product Description
Catalog Number:
AG00FFEP
Chemical Name:
2-methylbenzoxazole-5-sulphonic acid
CAS Number:
6764-43-8
IUPAC Name:
2-methyl-1,3-benzoxazole-5-sulfonic acid
InChI:
InChI=1S/C8H7NO4S/c1-5-9-7-4-6(14(10,11)12)2-3-8(7)13-5/h2-4H,1H3,(H,10,11,12)
InChI Key:
GXGKTKGTVRUVMR-UHFFFAOYSA-N
EC Number:
229-824-0
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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