Home Other Building Blocks 4-(6-oxopiperidin-2-yl)benzoic acid

4-(6-oxopiperidin-2-yl)benzoic acid

CAS No.:
2138422-19-0
Catalog Number:
AG01EKVG
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01EKVG
Chemical Name:
4-(6-oxopiperidin-2-yl)benzoic acid
CAS Number:
2138422-19-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD31421880
IUPAC Name:
4-(6-oxopiperidin-2-yl)benzoic acid
InChI:
InChI=1S/C12H13NO3/c14-11-3-1-2-10(13-11)8-4-6-9(7-5-8)12(15)16/h4-7,10H,1-3H2,(H,13,14)(H,15,16)
InChI Key:
AYRHNMAHEPZWTR-UHFFFAOYSA-N
SMILES:
O=C1CCCC(N1)c1ccc(cc1)C(=O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties