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129776-60-9 | Butanedioic acid, 2-(2-methylpropyl)-, 1-(phenylmethyl) ester, (2R)-
CAS No: 129776-60-9 Catalog No: AG000TOE MDL No:
Product Description
Catalog Number:
AG000TOE
Chemical Name:
Butanedioic acid, 2-(2-methylpropyl)-, 1-(phenylmethyl) ester, (2R)-
CAS Number:
129776-60-9
Molecular Formula:
C15H19O4-
Molecular Weight:
263.3090
IUPAC Name:
(3R)-5-methyl-3-phenylmethoxycarbonylhexanoic acid
InChI:
InChI=1S/C15H20O4/c1-11(2)8-13(9-14(16)17)15(18)19-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChI Key:
CFMRKUYJARYXBX-CYBMUJFWSA-N
SMILES:
CC(C[C@@H](C(=O)OCc1ccccc1)CC(=O)[O-])C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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