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89442-78-4 | Methanone, [2,3-dihydro-1-(2-hydroxypropyl)-1H-pyrrolizin-5-yl]phenyl-
CAS No: 89442-78-4 Catalog No: AG0043FG MDL No:
Product Description
Catalog Number:
AG0043FG
Chemical Name:
Methanone, [2,3-dihydro-1-(2-hydroxypropyl)-1H-pyrrolizin-5-yl]phenyl-
CAS Number:
89442-78-4
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
[7-(2-hydroxypropyl)-6,7-dihydro-5H-pyrrolizin-3-yl]-phenylmethanone
InChI:
InChI=1S/C17H19NO2/c1-12(19)11-14-9-10-18-15(14)7-8-16(18)17(20)13-5-3-2-4-6-13/h2-8,12,14,19H,9-11H2,1H3
InChI Key:
NFABOOCILGIZQT-UHFFFAOYSA-N
SMILES:
CC(CC1CCn2c1ccc2C(=O)c1ccccc1)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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