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122225-33-6 | Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
CAS No: 122225-33-6 Catalog No: AG0016YN MDL No:MFCD12755810
Product Description
Catalog Number:
AG0016YN
Chemical Name:
Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
CAS Number:
122225-33-6
Molecular Formula:
C15H19O4-
Molecular Weight:
263.3090
MDL Number:
MFCD12755810
IUPAC Name:
(2R)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C15H20O4/c1-15(2,3)19-13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m1/s1
InChI Key:
TWMRLCPQQCHIBH-GFCCVEGCSA-N
SMILES:
O=C(OC(C)(C)C)C[C@H](C(=O)[O-])Cc1ccccc1
Properties
Complexity:
311
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:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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