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85684-83-9 | Piperidine, 4-(1H-2-benzopyran-4(3H)-ylidene)-1-(phenylmethyl)-
CAS No: 85684-83-9 Catalog No: AG004PRB MDL No:
Product Description
Catalog Number:
AG004PRB
Chemical Name:
Piperidine, 4-(1H-2-benzopyran-4(3H)-ylidene)-1-(phenylmethyl)-
CAS Number:
85684-83-9
Molecular Formula:
C21H23NO
Molecular Weight:
305.4134
IUPAC Name:
1-benzyl-4-(1H-isochromen-4-ylidene)piperidine
InChI:
InChI=1S/C21H23NO/c1-2-6-17(7-3-1)14-22-12-10-18(11-13-22)21-16-23-15-19-8-4-5-9-20(19)21/h1-9H,10-16H2
InChI Key:
WCGGZSSIZCGDEA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC(=C2COCc3c2cccc3)CC1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.421g/mol
Monoisotopic Mass:
305.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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