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183593-62-6

183593-62-6 | 2-Pyrrolidinemethanol, 1-[(1-ethenylcyclohexyl)acetyl]-, (S)- (9CI)

CAS No: 183593-62-6 Catalog No: AG0027Q6 MDL No:

Product Description

Catalog Number:
AG0027Q6
Chemical Name:
2-Pyrrolidinemethanol, 1-[(1-ethenylcyclohexyl)acetyl]-, (S)- (9CI)
CAS Number:
183593-62-6
Molecular Formula:
C15H25NO2
Molecular Weight:
251.3645
IUPAC Name:
2-(1-ethenylcyclohexyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C15H25NO2/c1-2-15(8-4-3-5-9-15)11-14(18)16-10-6-7-13(16)12-17/h2,13,17H,1,3-12H2/t13-/m0/s1
InChI Key:
RPSFSFPZXGFNEC-ZDUSSCGKSA-N
SMILES:
OC[C@@H]1CCCN1C(=O)CC1(C=C)CCCCC1

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
251.189g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.37g/mol
Monoisotopic Mass:
251.189g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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