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87711-04-4 | Phenol, 2-(2-phenyl-1-pyrrolidinyl)-
CAS No: 87711-04-4 Catalog No: AG004NC4 MDL No:
Product Description
Catalog Number:
AG004NC4
Chemical Name:
Phenol, 2-(2-phenyl-1-pyrrolidinyl)-
CAS Number:
87711-04-4
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
2-(2-phenylpyrrolidin-1-yl)phenol
InChI:
InChI=1S/C16H17NO/c18-16-11-5-4-9-15(16)17-12-6-10-14(17)13-7-2-1-3-8-13/h1-5,7-9,11,14,18H,6,10,12H2
InChI Key:
PLIGZDSZXWHHPF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1N1CCCC1c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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