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136758-22-0 | 2-Propynoic acid, 3-(1-pyrrolidinyl)-, methyl ester
CAS No: 136758-22-0 Catalog No: AG0012AE MDL No:
Product Description
Catalog Number:
AG0012AE
Chemical Name:
2-Propynoic acid, 3-(1-pyrrolidinyl)-, methyl ester
CAS Number:
136758-22-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
methyl 3-pyrrolidin-1-ylprop-2-ynoate
InChI:
InChI=1S/C8H11NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h2-3,5-6H2,1H3
InChI Key:
WLXTVNYXSBQGSC-UHFFFAOYSA-N
SMILES:
COC(=O)C#CN1CCCC1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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