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23598-98-3 | 1-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2]oxazol-4-ylidene)-
CAS No: 23598-98-3 Catalog No: AG002NU4 MDL No:
Product Description
Catalog Number:
AG002NU4
Chemical Name:
1-Piperidineethanol, 4-(9,10-dihydro-2-methyl-4H-benzo[5,6]cyclohept[1,2]oxazol-4-ylidene)-
CAS Number:
23598-98-3
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
2-[4-(5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]ethanol
InChI:
InChI=1S/C20H24N2O2/c1-14-21-20-18(24-14)7-6-15-4-2-3-5-17(15)19(20)16-8-10-22(11-9-16)12-13-23/h2-5,23H,6-13H2,1H3
InChI Key:
SYKOAGQOXQQHFD-UHFFFAOYSA-N
SMILES:
OCCN1CCC(=C2C3=C(CCc4c2cccc4)ON(C3)C)CC1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.424g/mol
Monoisotopic Mass:
324.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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