Home Other Building Blocks 3-methyl-4-(morpholin-4-yl)but-2-enoic acid hydrochloride

3-methyl-4-(morpholin-4-yl)but-2-enoic acid hydrochloride

CAS No.:
1909358-85-5
Catalog Number:
AG01B1V0
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
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Product Description
Catalog Number:
AG01B1V0
Chemical Name:
3-methyl-4-(morpholin-4-yl)but-2-enoic acid hydrochloride
CAS Number:
1909358-85-5
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
MDL Number:
MFCD29907193
IUPAC Name:
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
InChI:
InChI=1S/C9H15NO3.ClH/c1-8(6-9(11)12)7-10-2-4-13-5-3-10;/h6H,2-5,7H2,1H3,(H,11,12);1H
InChI Key:
ODYOSPWAOMLAPY-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)CN1CCOCC1.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.681g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties