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13640-51-2 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridinylmethylene)-
CAS No: 13640-51-2 Catalog No: AG0011UA MDL No:
Product Description
Catalog Number:
AG0011UA
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridinylmethylene)-
CAS Number:
13640-51-2
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
2-(pyridin-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C16H13NO/c18-16-14(10-12-4-3-9-17-11-12)8-7-13-5-1-2-6-15(13)16/h1-6,9-11H,7-8H2
InChI Key:
FQGOMCZTOHRVAC-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cccnc2)CCc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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