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100942-39-0 | Ethanone, 1-[2,6-dihydroxy-4-(1-pyrrolidinyl)phenyl]-
CAS No: 100942-39-0 Catalog No: AG00039F MDL No:
Product Description
Catalog Number:
AG00039F
Chemical Name:
Ethanone, 1-[2,6-dihydroxy-4-(1-pyrrolidinyl)phenyl]-
CAS Number:
100942-39-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
1-(2,6-dihydroxy-4-pyrrolidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C12H15NO3/c1-8(14)12-10(15)6-9(7-11(12)16)13-4-2-3-5-13/h6-7,15-16H,2-5H2,1H3
InChI Key:
SPQBMNYREXHFSZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)cc(cc1O)N1CCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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