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141620-14-6 | 2-Propen-1-ol, 3-(2'-methyl[1,1'-biphenyl]-4-yl)-, acetate, (E)- (9CI)
CAS No: 141620-14-6 Catalog No: AG001GP0 MDL No:
Product Description
Catalog Number:
AG001GP0
Chemical Name:
2-Propen-1-ol, 3-(2'-methyl[1,1'-biphenyl]-4-yl)-, acetate, (E)- (9CI)
CAS Number:
141620-14-6
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
acetic acid;3-[4-(2-methylphenyl)phenyl]prop-2-en-1-ol
InChI:
InChI=1S/C16H16O.C2H4O2/c1-13-5-2-3-7-16(13)15-10-8-14(9-11-15)6-4-12-17;1-2(3)4/h2-11,17H,12H2,1H3;1H3,(H,3,4)
InChI Key:
UIKOCSBOGMSSER-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C/c1ccc(cc1)c1ccccc1C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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