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113418-29-4 | Pentaphene, 3-methyl-
CAS No: 113418-29-4 Catalog No: AG0008IU MDL No:
Product Description
Catalog Number:
AG0008IU
Chemical Name:
Pentaphene, 3-methyl-
CAS Number:
113418-29-4
Molecular Formula:
C23H16
Molecular Weight:
292.3731
IUPAC Name:
3-methylpentaphene
InChI:
InChI=1S/C23H16/c1-15-6-7-18-14-23-20(12-21(18)10-15)9-8-19-11-16-4-2-3-5-17(16)13-22(19)23/h2-14H,1H3
InChI Key:
YBAYUXFKCSTQFT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc1c(c2)c2cc3ccccc3cc2cc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.381g/mol
Monoisotopic Mass:
292.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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