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89398-68-5 | Naphth[2,3-a]azulene, 5,12-bis(methoxymethoxy)-
CAS No: 89398-68-5 Catalog No: AG003WAN MDL No:
Product Description
Catalog Number:
AG003WAN
Chemical Name:
Naphth[2,3-a]azulene, 5,12-bis(methoxymethoxy)-
CAS Number:
89398-68-5
Molecular Formula:
C22H20O4
Molecular Weight:
348.3918
IUPAC Name:
11,18-bis(methoxymethoxy)tetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,9,11,13,15,17-nonaene
InChI:
InChI=1S/C22H20O4/c1-23-13-25-21-17-10-6-7-11-18(17)22(26-14-24-2)20-16-9-5-3-4-8-15(16)12-19(20)21/h3-12H,13-14H2,1-2H3
InChI Key:
SNWFGUYLLCCBIM-UHFFFAOYSA-N
SMILES:
COCOc1c2cc3c(c2c(c2c1cccc2)OCOC)ccccc3
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.398g/mol
Monoisotopic Mass:
348.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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