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145655-36-3

145655-36-3 | 2-Propenoic acid, 1-phenyl-2-propen-1-yl ester

CAS No: 145655-36-3 Catalog No: AG001D9U MDL No:

Product Description

Catalog Number:
AG001D9U
Chemical Name:
2-Propenoic acid, 1-phenyl-2-propen-1-yl ester
CAS Number:
145655-36-3
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
1-phenylprop-2-enyl prop-2-enoate
InChI:
InChI=1S/C12H12O2/c1-3-11(14-12(13)4-2)10-8-6-5-7-9-10/h3-9,11H,1-2H2
InChI Key:
BVPATJGJZUFBBH-UHFFFAOYSA-N
SMILES:
C=CC(c1ccccc1)OC(=O)C=C

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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