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13102-93-7 | 1(3H)-Isobenzofuranone, 3-(2-naphthalenylmethylene)-
CAS No: 13102-93-7 Catalog No: AG000VCM MDL No:
Product Description
Catalog Number:
AG000VCM
Chemical Name:
1(3H)-Isobenzofuranone, 3-(2-naphthalenylmethylene)-
CAS Number:
13102-93-7
Molecular Formula:
C19H12O2
Molecular Weight:
272.2974
IUPAC Name:
3-(naphthalen-2-ylmethylidene)-2-benzofuran-1-one
InChI:
InChI=1S/C19H12O2/c20-19-17-8-4-3-7-16(17)18(21-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H
InChI Key:
SXVPWSRPVGNBJE-UHFFFAOYSA-N
SMILES:
O=C1OC(=Cc2ccc3c(c2)cccc3)c2c1cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.303g/mol
Monoisotopic Mass:
272.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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