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114262-88-3 | Benzene, (3-methoxy-4-decyn-1-yl)-
CAS No: 114262-88-3 Catalog No: AG000AYB MDL No:
Product Description
Catalog Number:
AG000AYB
Chemical Name:
Benzene, (3-methoxy-4-decyn-1-yl)-
CAS Number:
114262-88-3
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
IUPAC Name:
3-methoxydec-4-ynylbenzene
InChI:
InChI=1S/C17H24O/c1-3-4-5-6-10-13-17(18-2)15-14-16-11-8-7-9-12-16/h7-9,11-12,17H,3-6,14-15H2,1-2H3
InChI Key:
JVQHIYNSYZEFTE-UHFFFAOYSA-N
SMILES:
CCCCCC#CC(CCc1ccccc1)OC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.378g/mol
Monoisotopic Mass:
244.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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