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87323-75-9 | Benzoic acid, (1,1-dimethylethyl)-, ethenyl ester
CAS No: 87323-75-9 Catalog No: AG004ONY MDL No:
Product Description
Catalog Number:
AG004ONY
Chemical Name:
Benzoic acid, (1,1-dimethylethyl)-, ethenyl ester
CAS Number:
87323-75-9
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
ethenyl 2-tert-butylbenzoate
InChI:
InChI=1S/C13H16O2/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4/h5-9H,1H2,2-4H3
InChI Key:
ZBVWCAOHSBLHRP-UHFFFAOYSA-N
SMILES:
C=COC(=O)c1ccccc1C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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