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862972-84-7 | Benzene, 1-methyl-4-[3-(2-propenyloxy)-1-propynyl]-
CAS No: 862972-84-7 Catalog No: AG004RKM MDL No:
Product Description
Catalog Number:
AG004RKM
Chemical Name:
Benzene, 1-methyl-4-[3-(2-propenyloxy)-1-propynyl]-
CAS Number:
862972-84-7
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
1-methyl-4-(3-prop-2-enoxyprop-1-ynyl)benzene
InChI:
InChI=1S/C13H14O/c1-3-10-14-11-4-5-13-8-6-12(2)7-9-13/h3,6-9H,1,10-11H2,2H3
InChI Key:
QFKKTWGFZJRAAR-UHFFFAOYSA-N
SMILES:
C=CCOCC#Cc1ccc(cc1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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