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114611-39-1 | 2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-, 2-propyn-1-yl ester
CAS No: 114611-39-1 Catalog No: AG000ETU MDL No:
Product Description
Catalog Number:
AG000ETU
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-, 2-propyn-1-yl ester
CAS Number:
114611-39-1
Molecular Formula:
C19H14O2
Molecular Weight:
274.3133
IUPAC Name:
prop-2-ynyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
InChI:
InChI=1S/C19H14O2/c1-2-13-21-19(20)18-16(14-9-5-3-6-10-14)17(18)15-11-7-4-8-12-15/h1,3-12,18H,13H2
InChI Key:
SPCMPTUENYUIEV-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)C1C(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.319g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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