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131080-60-9 | 2-Pyrrolidinemethanol, 1-(1-oxo-4-pentenyl)-, (S)- (9CI)
CAS No: 131080-60-9 Catalog No: AG000VHS MDL No:
Product Description
Catalog Number:
AG000VHS
Chemical Name:
2-Pyrrolidinemethanol, 1-(1-oxo-4-pentenyl)-, (S)- (9CI)
CAS Number:
131080-60-9
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
InChI:
InChI=1S/C10H17NO2/c1-2-3-6-10(13)11-7-4-5-9(11)8-12/h2,9,12H,1,3-8H2/t9-/m0/s1
InChI Key:
MCQXOWJVXRHADN-VIFPVBQESA-N
SMILES:
C=CCCC(=O)N1CCC[C@H]1CO
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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