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68083-34-1 | AMMONIUM ALPHA,4-DIHYDROXY-3-METHOXYTOLUENE-ALPHA-SULPHONATE
CAS No: 68083-34-1 Catalog No: AG006G2V MDL No:
Product Description
Catalog Number:
AG006G2V
Chemical Name:
AMMONIUM ALPHA,4-DIHYDROXY-3-METHOXYTOLUENE-ALPHA-SULPHONATE
CAS Number:
68083-34-1
Molecular Formula:
C8H13NO6S
Molecular Weight:
251.2569
IUPAC Name:
azanium;hydroxy-(4-hydroxy-3-methoxyphenyl)methanesulfonate
InChI:
InChI=1S/C8H10O6S.H3N/c1-14-7-4-5(2-3-6(7)9)8(10)15(11,12)13;/h2-4,8-10H,1H3,(H,11,12,13);1H3
InChI Key:
IGYBFDGRKFLPOS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C(S(=O)(=O)[O-])O.[NH4+]
EC Number:
268-382-3
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.253g/mol
Monoisotopic Mass:
251.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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