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114143-78-1 | Pyrrolidine, 1-(1-butynyl)-2-(methoxymethyl)-, (S)- (9CI)
CAS No: 114143-78-1 Catalog No: AG000ANN MDL No:
Product Description
Catalog Number:
AG000ANN
Chemical Name:
Pyrrolidine, 1-(1-butynyl)-2-(methoxymethyl)-, (S)- (9CI)
CAS Number:
114143-78-1
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
1-but-1-ynyl-2-(methoxymethyl)pyrrolidine
InChI:
InChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(11)9-12-2/h10H,3,5-6,8-9H2,1-2H3
InChI Key:
CGUPPWZINUKFLQ-UHFFFAOYSA-N
SMILES:
COC[C@@H]1CCCN1C#CCC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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