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Metol

CAT: 1299-RG-A260791-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260791-01Size:10 mg
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CAS Number
55-55-0
Synonyms
Metol
Molecular Formula
C14H20N2O6S
Molecular Weight
344.38
Product Name Synonym
Metol

Chemical Information

Metol

4-methylaminophenol sulfate is the sulfate salt of 4-methylaminophenol. It is functionally related to a 4-methylaminophenol.

CAS Number55-55-0
PubChem CID5930
IUPAC Namebis(4-(methylamino)phenol);sulfuric acid
Molecular FormulaC14H20N2O6S
Molecular Weight344.39
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity158
SMILES
CNC1=CC=C(C=C1)O.CNC1=CC=C(C=C1)O.OS(=O)(=O)O
InChI
InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKey
ZVNPWFOVUDMGRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metol
CAS: 55-55-0
CID: 5930
Formula: C14H20N2O6S
MW: 344.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight344.39
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass344.10420754
Monoisotopic Mass344.10420754
Topological Polar Surface Area148 Ų
Heavy Atom Count23
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes