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179129-14-7 | Benzaldehyde, 2-ethynyl-4-methoxy-
CAS No: 179129-14-7 Catalog No: AG0026T9 MDL No:
Product Description
Catalog Number:
AG0026T9
Chemical Name:
Benzaldehyde, 2-ethynyl-4-methoxy-
CAS Number:
179129-14-7
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
4-ethynyl-1,2-dioctoxybenzene
InChI:
InChI=1S/C24H38O2/c1-4-7-9-11-13-15-19-25-23-18-17-22(6-3)21-24(23)26-20-16-14-12-10-8-5-2/h3,17-18,21H,4-5,7-16,19-20H2,1-2H3
InChI Key:
QDYNXKFFNOKBSN-UHFFFAOYSA-N
SMILES:
C#Cc1cc(OC)ccc1C=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.287g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.566g/mol
Monoisotopic Mass:
358.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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