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83010-53-1 | 3-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)phenol ethanedioate (2
CAS No: 83010-53-1 Catalog No: AG00GPEI MDL No:
Product Description
Catalog Number:
AG00GPEI
Chemical Name:
3-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)phenol ethanedioate (2
CAS Number:
83010-53-1
IUPAC Name:
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol;oxalic acid
InChI:
InChI=1S/2C13H17NO.C2H2O4/c2*1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11;3-1(4)2(5)6/h2*3,5-7,9,15H,2,4,8,10H2,1H3;(H,3,4)(H,5,6)
InChI Key:
DAPNDNFTIBAMPM-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.257g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
496.604g/mol
Monoisotopic Mass:
496.257g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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