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84628-14-8 | 5-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate
CAS No: 84628-14-8 Catalog No: AG01FOQ1 MDL No:
Product Description
Catalog Number:
AG01FOQ1
Chemical Name:
5-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate
CAS Number:
84628-14-8
IUPAC Name:
5-(4-methoxyphenyl)-2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium
InChI:
InChI=1S/C13H17NO2/c1-13(2)9-8-12(14(13)15)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3
InChI Key:
DWDCLCNGRSPLAB-UHFFFAOYSA-N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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