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13632-79-6 | Benzene, 1,1'-(1-methoxy-2-propyn-1-ylidene)bis-
CAS No: 13632-79-6 Catalog No: AG0011NJ MDL No:
Product Description
Catalog Number:
AG0011NJ
Chemical Name:
Benzene, 1,1'-(1-methoxy-2-propyn-1-ylidene)bis-
CAS Number:
13632-79-6
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
(1-methoxy-1-phenylprop-2-ynyl)benzene
InChI:
InChI=1S/C16H14O/c1-3-16(17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
InChI Key:
LOBSJUUOCCEBHE-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)(c1ccccc1)C#C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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