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24817-51-4 | Butanoic acid, 2-methyl-, 2-phenylethyl ester
CAS No: 24817-51-4 Catalog No: AG002PJ9 MDL No:
Product Description
Catalog Number:
AG002PJ9
Chemical Name:
Butanoic acid, 2-methyl-, 2-phenylethyl ester
CAS Number:
24817-51-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-phenylethyl 2-methylbutanoate
InChI:
InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChI Key:
KVKKTLBBYFABAZ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCCc1ccccc1)C
EC Number:
246-476-5
FEMA Number:
3632
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:
3.5
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