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188-42-1 | Naphthaceno[2,1,12,11-opqra]naphthacene
CAS No: 188-42-1 Catalog No: AG002GMY MDL No:
Product Description
Catalog Number:
AG002GMY
Chemical Name:
Naphthaceno[2,1,12,11-opqra]naphthacene
CAS Number:
188-42-1
Molecular Formula:
C30H16
Molecular Weight:
376.4480
IUPAC Name:
octacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene
InChI:
InChI=1S/C30H16/c1-3-7-23-17(5-1)13-21-15-19-10-12-26-24-8-4-2-6-18(24)14-22-16-20-9-11-25(23)27(21)29(20)30(19)28(22)26/h1-16H
InChI Key:
AHVOGQHPOOFLNU-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc3c4c1c(c2)cc1c4c2c(c3)cc3c(c2cc1)cccc3
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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