Home Other Building Blocks 2-methylpiperidin-4-one, acetic acid

2-methylpiperidin-4-one, acetic acid

CAS No.:
1382774-58-4
Catalog Number:
AG01EJTJ
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
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Product Description
Catalog Number:
AG01EJTJ
Chemical Name:
2-methylpiperidin-4-one, acetic acid
CAS Number:
1382774-58-4
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD31433960
IUPAC Name:
acetic acid;2-methylpiperidin-4-one
InChI:
InChI=1S/C6H11NO.C2H4O2/c1-5-4-6(8)2-3-7-5;1-2(3)4/h5,7H,2-4H2,1H3;1H3,(H,3,4)
InChI Key:
PNNYMZXLAXMKNO-UHFFFAOYSA-N
SMILES:
CC1NCCC(=O)C1.CC(=O)O
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties