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84642-66-0 | Propanoic acid,2-methyl-, 3-phenylbutyl ester
CAS No: 84642-66-0 Catalog No: AG004T00 MDL No:
Product Description
Catalog Number:
AG004T00
Chemical Name:
Propanoic acid,2-methyl-, 3-phenylbutyl ester
CAS Number:
84642-66-0
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
3-phenylbutyl 2-methylpropanoate
InChI:
InChI=1S/C14H20O2/c1-11(2)14(15)16-10-9-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChI Key:
KHLORCDQQNVRAB-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CCOC(=O)C(C)C
EC Number:
283-443-4
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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