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19227-07-7 | Azulene, 2-phenyl-
CAS No: 19227-07-7 Catalog No: AG002FSL MDL No:
Product Description
Catalog Number:
AG002FSL
Chemical Name:
Azulene, 2-phenyl-
CAS Number:
19227-07-7
Molecular Formula:
C16H12
Molecular Weight:
204.2665
IUPAC Name:
2-phenylazulene
InChI:
InChI=1S/C16H12/c1-3-7-13(8-4-1)16-11-14-9-5-2-6-10-15(14)12-16/h1-12H
InChI Key:
VUKMMANDBUENJS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc2c(c1)ccccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.272g/mol
Monoisotopic Mass:
204.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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