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210972-11-5 | 1(2H)-Naphthalenone, 3,4-dihydro-7-(phenylmethyl)-
CAS No: 210972-11-5 Catalog No: AG002L2I MDL No:
Product Description
Catalog Number:
AG002L2I
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-7-(phenylmethyl)-
CAS Number:
210972-11-5
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
7-benzyl-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C17H16O/c18-17-8-4-7-15-10-9-14(12-16(15)17)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12H,4,7-8,11H2
InChI Key:
COMXDBHMROJOBV-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(cc2)Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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