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114326-29-3

114326-29-3 | Dibenz[a,j]anthracene, 3-methoxy-7,14-dimethyl-

CAS No: 114326-29-3 Catalog No: AG000B3K MDL No:

Product Description

Catalog Number:
AG000B3K
Chemical Name:
Dibenz[a,j]anthracene, 3-methoxy-7,14-dimethyl-
CAS Number:
114326-29-3
Molecular Formula:
C25H20O
Molecular Weight:
336.4257
IUPAC Name:
7-methoxy-2,13-dimethylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
InChI:
InChI=1S/C25H20O/c1-15-20-11-8-17-6-4-5-7-22(17)24(20)16(2)25-21(15)12-9-18-14-19(26-3)10-13-23(18)25/h4-14H,1-3H3
InChI Key:
GPYFWVHTZUBMFD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2c(C)c2c(c1C)ccc1c2cccc1

Properties

Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.151g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.434g/mol
Monoisotopic Mass:
336.151g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9  

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