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191-13-9 | PYRANTHRENE
CAS No: 191-13-9 Catalog No: AG002EZ0 MDL No:
Product Description
Catalog Number:
AG002EZ0
Chemical Name:
PYRANTHRENE
CAS Number:
191-13-9
Molecular Formula:
C30H16
Molecular Weight:
376.4480
IUPAC Name:
pyranthrene
InChI:
InChI=1S/C30H16/c1-3-7-23-17(5-1)13-19-9-11-22-16-26-24-8-4-2-6-18(24)14-20-10-12-21-15-25(23)27(19)29(22)30(21)28(20)26/h1-16H
InChI Key:
LNKHTYQPVMAJSF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3ccc4c5c3c3c1c(c2)ccc3cc5c1c(c4)cccc1
EC Number:
205-882-2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.125g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.458g/mol
Monoisotopic Mass:
376.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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