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206654-93-5 | Benzene, 1,2-bis(heptyloxy)-
CAS No: 206654-93-5 Catalog No: AG002IKR MDL No:
Product Description
Catalog Number:
AG002IKR
Chemical Name:
Benzene, 1,2-bis(heptyloxy)-
CAS Number:
206654-93-5
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
IUPAC Name:
1,2-diheptoxybenzene
InChI:
InChI=1S/C20H34O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key:
FGBSKVPHYDHCLA-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccccc1OCCCCCCC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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