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881405-24-9 | Benzene, 1-ethynyl-2-(5-methoxy-1-pentynyl)-
CAS No: 881405-24-9 Catalog No: AG004F29 MDL No:
Product Description
Catalog Number:
AG004F29
Chemical Name:
Benzene, 1-ethynyl-2-(5-methoxy-1-pentynyl)-
CAS Number:
881405-24-9
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-ethynyl-2-(5-methoxypent-1-ynyl)benzene
InChI:
InChI=1S/C14H14O/c1-3-13-9-6-7-11-14(13)10-5-4-8-12-15-2/h1,6-7,9,11H,4,8,12H2,2H3
InChI Key:
XKEIACBCZRANEN-UHFFFAOYSA-N
SMILES:
COCCCC#Cc1ccccc1C#C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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