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7476-89-3 | 2-(propan-2-yl)phenyl butanoate
CAS No: 7476-89-3 Catalog No: AG005HA8 MDL No:
Product Description
Catalog Number:
AG005HA8
Chemical Name:
2-(propan-2-yl)phenyl butanoate
CAS Number:
7476-89-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(2-propan-2-ylphenyl) butanoate
InChI:
InChI=1S/C13H18O2/c1-4-7-13(14)15-12-9-6-5-8-11(12)10(2)3/h5-6,8-10H,4,7H2,1-3H3
InChI Key:
OMPCIYGYHIDGMB-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccccc1C(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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