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13061-75-1 | 2-Propynoic acid, 3-phenyl-, 3-phenyl-2-propyn-1-yl ester
CAS No: 13061-75-1 Catalog No: AG000UPJ MDL No:
Product Description
Catalog Number:
AG000UPJ
Chemical Name:
2-Propynoic acid, 3-phenyl-, 3-phenyl-2-propyn-1-yl ester
CAS Number:
13061-75-1
Molecular Formula:
C18H12O2
Molecular Weight:
260.2867
IUPAC Name:
3-phenylprop-2-ynyl 3-phenylprop-2-ynoate
InChI:
InChI=1S/C18H12O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2
InChI Key:
TWDDBAJUPAJTJY-UHFFFAOYSA-N
SMILES:
O=C(C#Cc1ccccc1)OCC#Cc1ccccc1
NSC Number:
113075
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.292g/mol
Monoisotopic Mass:
260.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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