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Home Carbonyls 2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid

2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid

CAS No.:
170838-26-3
Catalog Number:
AG00AR4Q
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
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Product Description
Catalog Number:
AG00AR4Q
Chemical Name:
2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid
CAS Number:
170838-26-3
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
MDL Number:
MFCD08460729
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
InChI:
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-12(9-11-18)13-6-4-5-7-14(13)15(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChI Key:
NPKPUCNATSURJQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccccc1C(=O)O)OC(C)(C)C
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties