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28862-02-4 | Pyrene, 1,9-dihydro-
CAS No: 28862-02-4 Catalog No: AG002WVN MDL No:
Product Description
Catalog Number:
AG002WVN
Chemical Name:
Pyrene, 1,9-dihydro-
CAS Number:
28862-02-4
Molecular Formula:
C16H12
Molecular Weight:
204.2665
IUPAC Name:
1,9-dihydropyrene
InChI:
InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-5,7,9-10H,6,8H2
InChI Key:
JBWYHEWFOLZDIH-UHFFFAOYSA-N
SMILES:
C1=Cc2c3C(=CCc4c3c(cc2)ccc4)C1
Properties
Complexity:
349
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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