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1145-55-7 | 2-Propenoic acid, 2-cyano-3-phenyl-, 1,1-dimethylethyl ester
CAS No: 1145-55-7 Catalog No: AG000EL0 MDL No:
Product Description
Catalog Number:
AG000EL0
Chemical Name:
2-Propenoic acid, 2-cyano-3-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1145-55-7
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
tert-butyl 2-cyano-3-phenylprop-2-enoate
InChI:
InChI=1S/C14H15NO2/c1-14(2,3)17-13(16)12(10-15)9-11-7-5-4-6-8-11/h4-9H,1-3H3
InChI Key:
XYGKVHUAQHIFLA-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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