CAS
79887-12-0 Purity
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79887-12-0 Purity
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1-Eth-1-ynyl-4-(pentyloxy)benzene
CAS
79887-16-4
Catalog Number
ACM79887164
Category
Other Products
Molecular Weight
188.26g/mol
Molecular Formula
C13H16O
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Specification
IUPAC Name
1-ethynyl-4-pentoxybenzene
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C#C
InChI
InChI=1S/C13H16O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h2,7-10H,3,5-6,11H2,1H3
InChI Key
MKSWQHOPSDCVMS-UHFFFAOYSA-N
Complexity
181
Covalently-Bonded Unit Count
1
Exact Mass
188.120115g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
14
Monoisotopic Mass
188.120115g/mol
Rotatable Bond Count
6
XLogP3
4.1
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