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14578-75-7 | 2(1H)-Naphthalenone, 3,4-dihydro-1-phenyl-
CAS No: 14578-75-7 Catalog No: AG001DET MDL No:
Product Description
Catalog Number:
AG001DET
Chemical Name:
2(1H)-Naphthalenone, 3,4-dihydro-1-phenyl-
CAS Number:
14578-75-7
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
1-phenyl-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C16H14O/c17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-9,16H,10-11H2
InChI Key:
PTRLOLYOFGOMOM-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1c1ccccc1)cccc2
NSC Number:
55337
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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