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135-48-8

135-48-8 | Pentacene

CAS No: 135-48-8 Catalog No: AG003847 MDL No:MFCD00003710

Product Description

Catalog Number:
AG003847
Chemical Name:
Pentacene
CAS Number:
135-48-8
Molecular Formula:
C22H14
Molecular Weight:
278.3466
MDL Number:
MFCD00003710
IUPAC Name:
pentacene
InChI:
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
InChI Key:
SLIUAWYAILUBJU-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)cc2c(c1)cc1c(c2)cccc1
EC Number:
205-193-7
UNII:
9FQU5HA0UY
NSC Number:
90784

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.11g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.354g/mol
Monoisotopic Mass:
278.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  

Literature

Title Journal
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