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116315-55-0 | Hexanoic acid, 2-methyl-, phenylmethyl ester, (R)- (9CI)
CAS No: 116315-55-0 Catalog No: AG000C6Z MDL No:
Product Description
Catalog Number:
AG000C6Z
Chemical Name:
Hexanoic acid, 2-methyl-, phenylmethyl ester, (R)- (9CI)
CAS Number:
116315-55-0
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
benzyl 2-methylhexanoate
InChI:
InChI=1S/C14H20O2/c1-3-4-8-12(2)14(15)16-11-13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3
InChI Key:
CWNUVCWFVYZSRB-UHFFFAOYSA-N
SMILES:
CCCC[C@H](C(=O)OCc1ccccc1)C
Properties
Complexity:
195
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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