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39969-26-1 | 1-Methoxy-4-((4-propylphenyl)ethynyl)benzene
CAS No: 39969-26-1 Catalog No: AG003B0W MDL No:MFCD04038795
Product Description
Catalog Number:
AG003B0W
Chemical Name:
1-Methoxy-4-((4-propylphenyl)ethynyl)benzene
CAS Number:
39969-26-1
Molecular Formula:
C18H18O
Molecular Weight:
250.3349
MDL Number:
MFCD04038795
IUPAC Name:
1-methoxy-4-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C18H18O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h5-8,11-14H,3-4H2,1-2H3
InChI Key:
NPCKVHHCQBJJIS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)OC
EC Number:
609-761-9
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.341g/mol
Monoisotopic Mass:
250.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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