3-Ethylbenzene-1,2-diol


Chemical Name: 3-Ethylbenzene-1,2-diol
CAS Number: 933-99-3
Product Number: AG00H10M(AGN-PC-0WAKLK)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
138.166g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
138.068g/mol
Monoisotopic Mass:
138.068g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
103
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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