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244641-21-2 | Ethanone, 1-[2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yl]-
CAS No: 244641-21-2 Catalog No: AG002O7P MDL No:
Product Description
Catalog Number:
AG002O7P
Chemical Name:
Ethanone, 1-[2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yl]-
CAS Number:
244641-21-2
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
1-[3-(hydroxymethyl)-2,2,5,5-tetramethylpyrrol-1-yl]ethanone
InChI:
InChI=1S/C11H19NO2/c1-8(14)12-10(2,3)6-9(7-13)11(12,4)5/h6,13H,7H2,1-5H3
InChI Key:
UYLNEXRLQPVSOZ-UHFFFAOYSA-N
SMILES:
OCC1=CC(N(C1(C)C)C(=O)C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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