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138616-36-1 | 1-Cyclopentene-1-carboxylic acid, 2-(2-phenylethynyl)-, ethyl ester
CAS No: 138616-36-1 Catalog No: AG0018VF MDL No:
Product Description
Catalog Number:
AG0018VF
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 2-(2-phenylethynyl)-, ethyl ester
CAS Number:
138616-36-1
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
ethyl 2-(2-phenylethynyl)cyclopentene-1-carboxylate
InChI:
InChI=1S/C16H16O2/c1-2-18-16(17)15-10-6-9-14(15)12-11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
FMHGSNIVXALLBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CCC1)C#Cc1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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