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140892-61-1 | 2-Propenoic acid, 4-ethynylphenyl ester
CAS No: 140892-61-1 Catalog No: AG001CYN MDL No:
Product Description
Catalog Number:
AG001CYN
Chemical Name:
2-Propenoic acid, 4-ethynylphenyl ester
CAS Number:
140892-61-1
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
IUPAC Name:
(4-ethynylphenyl) prop-2-enoate
InChI:
InChI=1S/C11H8O2/c1-3-9-5-7-10(8-6-9)13-11(12)4-2/h1,4-8H,2H2
InChI Key:
AZIDPYJKSWNQRP-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(cc1)C#C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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