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210885-00-0 | 2-Propyn-1-ol, 3-[1,1'-biphenyl]-4-yl-
CAS No: 210885-00-0 Catalog No: AG002L1K MDL No:
Product Description
Catalog Number:
AG002L1K
Chemical Name:
2-Propyn-1-ol, 3-[1,1'-biphenyl]-4-yl-
CAS Number:
210885-00-0
Molecular Formula:
C15H12O
Molecular Weight:
208.2552
IUPAC Name:
3-(4-phenylphenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C15H12O/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,6-11,16H,12H2
InChI Key:
MMSVPQJJHFFDTB-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.26g/mol
Monoisotopic Mass:
208.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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