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14262-60-3 | 6,7,9,10,12,13-Hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine
CAS No: 14262-60-3 Catalog No: AG003PBJ MDL No:MFCD00055949
Product Description
Catalog Number:
AG003PBJ
Chemical Name:
6,7,9,10,12,13-Hexahydrodibenzo[b,e][1,4,7,10,13]pentaoxacyclopentadecine
CAS Number:
14262-60-3
Molecular Formula:
C18H20O5
Molecular Weight:
316.3484
MDL Number:
MFCD00055949
IUPAC Name:
2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
InChI:
InChI=1S/C18H20O5/c1-3-7-17-15(5-1)20-11-9-19-10-12-21-16-6-2-4-8-18(16)23-14-13-22-17/h1-8H,9-14H2
InChI Key:
QSBFECWPKSRWNM-UHFFFAOYSA-N
SMILES:
C1COCCOc2ccccc2Oc2c(OCCO1)cccc2
NSC Number:
649284
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.353g/mol
Monoisotopic Mass:
316.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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