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123333-56-2 | 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)
CAS No: 123333-56-2 Catalog No: AG000KCU MDL No:
Product Description
Catalog Number:
AG000KCU
Chemical Name:
1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)
CAS Number:
123333-56-2
Molecular Formula:
C7H14N2O6S
Molecular Weight:
254.2609
IUPAC Name:
4-methoxybenzene-1,3-diamine;sulfuric acid;hydrate
InChI:
InChI=1S/C7H10N2O.H2O4S.H2O/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4;/h2-4H,8-9H2,1H3;(H2,1,2,3,4);1H2
InChI Key:
JAYRYWNGILOCLN-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.COc1ccc(cc1N)N.O
UNII:
A7R2Y9533S
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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