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819871-56-2 | Benzene, 2-ethynyl-4-methoxy-1-(2-methyl-1-propenyl)-
CAS No: 819871-56-2 Catalog No: AG0054EG MDL No:
Product Description
Catalog Number:
AG0054EG
Chemical Name:
Benzene, 2-ethynyl-4-methoxy-1-(2-methyl-1-propenyl)-
CAS Number:
819871-56-2
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
2-ethynyl-4-methoxy-1-(2-methylprop-1-enyl)benzene
InChI:
InChI=1S/C13H14O/c1-5-11-9-13(14-4)7-6-12(11)8-10(2)3/h1,6-9H,2-4H3
InChI Key:
RIOQRMZIESNAQK-UHFFFAOYSA-N
SMILES:
C#Cc1cc(OC)ccc1C=C(C)C
Properties
Complexity:
252
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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