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119876-84-5 | Benzene, 1,4-dibutoxy-2,5-dimethoxy-
CAS No: 119876-84-5 Catalog No: AG000PTO MDL No:
Product Description
Catalog Number:
AG000PTO
Chemical Name:
Benzene, 1,4-dibutoxy-2,5-dimethoxy-
CAS Number:
119876-84-5
Molecular Formula:
C16H26O4
Molecular Weight:
282.3752
IUPAC Name:
1,4-dibutoxy-2,5-dimethoxybenzene
InChI:
InChI=1S/C16H26O4/c1-5-7-9-19-15-11-14(18-4)16(12-13(15)17-3)20-10-8-6-2/h11-12H,5-10H2,1-4H3
InChI Key:
GDXAZHSCANKFOS-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(OC)c(cc1OC)OCCCC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.38g/mol
Monoisotopic Mass:
282.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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