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89113-64-4 | Butanoic acid, 2,3-dihydroxy-3-methyl-, 1,1-dimethylethyl ester, (R)-
CAS No: 89113-64-4 Catalog No: AG003ZRA MDL No:
Product Description
Catalog Number:
AG003ZRA
Chemical Name:
Butanoic acid, 2,3-dihydroxy-3-methyl-, 1,1-dimethylethyl ester, (R)-
CAS Number:
89113-64-4
Molecular Formula:
C9H18O4
Molecular Weight:
190.2368
IUPAC Name:
tert-butyl 2,3-dihydroxy-3-methylbutanoate
InChI:
InChI=1S/C9H18O4/c1-8(2,3)13-7(11)6(10)9(4,5)12/h6,10,12H,1-5H3
InChI Key:
RTQMWNMLMUFZGL-UHFFFAOYSA-N
SMILES:
O=C([C@@H](C(O)(C)C)O)OC(C)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.239g/mol
Monoisotopic Mass:
190.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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