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83976-41-4 | Pyrrolidine, 1-(1-cyclohexen-1-yl)-2-(methoxymethyl)-, (S)-
CAS No: 83976-41-4 Catalog No: AG004UAE MDL No:
Product Description
Catalog Number:
AG004UAE
Chemical Name:
Pyrrolidine, 1-(1-cyclohexen-1-yl)-2-(methoxymethyl)-, (S)-
CAS Number:
83976-41-4
Molecular Formula:
C12H21NO
Molecular Weight:
195.3012
IUPAC Name:
(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
InChI:
InChI=1S/C12H21NO/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11/h6,12H,2-5,7-10H2,1H3/t12-/m0/s1
InChI Key:
DCPZDNDFIJIUHP-LBPRGKRZSA-N
SMILES:
COC[C@@H]1CCCN1C1=CCCCC1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.306g/mol
Monoisotopic Mass:
195.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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