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79887-15-3 | Benzene,1-butoxy-4-ethynyl-
CAS No: 79887-15-3 Catalog No: AG0054XA MDL No:MFCD00173878
Product Description
Catalog Number:
AG0054XA
Chemical Name:
Benzene,1-butoxy-4-ethynyl-
CAS Number:
79887-15-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
MDL Number:
MFCD00173878
IUPAC Name:
1-butoxy-4-ethynylbenzene
InChI:
InChI=1S/C12H14O/c1-3-5-10-13-12-8-6-11(4-2)7-9-12/h2,6-9H,3,5,10H2,1H3
InChI Key:
JMLXBCSKFMMFGF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C#C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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