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192565-83-6 | Benzoic acid, 4-[[4-(hydroxydiphenylmethyl)-1-piperidinyl]methyl]-
CAS No: 192565-83-6 Catalog No: AG002G3I MDL No:
Product Description
Catalog Number:
AG002G3I
Chemical Name:
Benzoic acid, 4-[[4-(hydroxydiphenylmethyl)-1-piperidinyl]methyl]-
CAS Number:
192565-83-6
Molecular Formula:
C26H27NO3
Molecular Weight:
401.4975
IUPAC Name:
4-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
InChI:
InChI=1S/C26H27NO3/c28-25(29)21-13-11-20(12-14-21)19-27-17-15-24(16-18-27)26(30,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,30H,15-19H2,(H,28,29)
InChI Key:
YDQNXFIMUXRGPA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.506g/mol
Monoisotopic Mass:
401.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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