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10031-86-4 | Butanoic acid, 1-phenylpropyl ester
CAS No: 10031-86-4 Catalog No: AG0001KZ MDL No:
Product Description
Catalog Number:
AG0001KZ
Chemical Name:
Butanoic acid, 1-phenylpropyl ester
CAS Number:
10031-86-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-phenylpropyl butanoate
InChI:
InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
InChI Key:
SNUDRKNHOSAKGS-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)OC(=O)CCC
EC Number:
233-094-9
FEMA Number:
2424
Properties
Complexity:
183
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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