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114406-39-2 | 4-Morpholinecarboxylic acid, 2-propyn-1-yl ester
CAS No: 114406-39-2 Catalog No: AG000B99 MDL No:
Product Description
Catalog Number:
AG000B99
Chemical Name:
4-Morpholinecarboxylic acid, 2-propyn-1-yl ester
CAS Number:
114406-39-2
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
prop-2-ynyl morpholine-4-carboxylate
InChI:
InChI=1S/C8H11NO3/c1-2-5-12-8(10)9-3-6-11-7-4-9/h1H,3-7H2
InChI Key:
WGSVDRBRDMYCKX-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)N1CCOCC1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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