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19832-53-2 | Phenol, 3-(1-methyl-3-pentyl-3-azetidinyl)-
CAS No: 19832-53-2 Catalog No: AG002BFP MDL No:
Product Description
Catalog Number:
AG002BFP
Chemical Name:
Phenol, 3-(1-methyl-3-pentyl-3-azetidinyl)-
CAS Number:
19832-53-2
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
IUPAC Name:
3-(1-methyl-3-pentylazetidin-3-yl)phenol
InChI:
InChI=1S/C15H23NO/c1-3-4-5-9-15(11-16(2)12-15)13-7-6-8-14(17)10-13/h6-8,10,17H,3-5,9,11-12H2,1-2H3
InChI Key:
BVHFQVFALHWYPP-UHFFFAOYSA-N
SMILES:
CCCCCC1(CN(C1)C)c1cccc(c1)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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