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864670-90-6 | Benzene, 2-ethynyl-1,4-dimethoxy-3-[(2-methoxyethoxy)methoxy]-
CAS No: 864670-90-6 Catalog No: AG004MZS MDL No:
Product Description
Catalog Number:
AG004MZS
Chemical Name:
Benzene, 2-ethynyl-1,4-dimethoxy-3-[(2-methoxyethoxy)methoxy]-
CAS Number:
864670-90-6
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
2-ethynyl-1,4-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
InChI:
InChI=1S/C14H18O5/c1-5-11-12(16-3)6-7-13(17-4)14(11)19-10-18-9-8-15-2/h1,6-7H,8-10H2,2-4H3
InChI Key:
CSFVFBXQCCZSSG-UHFFFAOYSA-N
SMILES:
COCCOCOc1c(OC)ccc(c1C#C)OC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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