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1017786-10-5 | 2-Propenoic acid, 3-[1,3-dimethyl-5-(4-morpholinyl)-1H-pyrazol-4-yl]-
CAS No: 1017786-10-5 Catalog No: AG0005JA MDL No:
Product Description
Catalog Number:
AG0005JA
Chemical Name:
2-Propenoic acid, 3-[1,3-dimethyl-5-(4-morpholinyl)-1H-pyrazol-4-yl]-
CAS Number:
1017786-10-5
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
IUPAC Name:
(E)-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H17N3O3/c1-9-10(3-4-11(16)17)12(14(2)13-9)15-5-7-18-8-6-15/h3-4H,5-8H2,1-2H3,(H,16,17)/b4-3+
InChI Key:
GAEAIUOFERYBSX-ONEGZZNKSA-N
SMILES:
OC(=O)C=Cc1c(C)nn(c1N1CCOCC1)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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