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102296-89-9 | Pentanedioic acid, 3-hydroxy-3-methyl-, monomethyl ester, (R)- (9CI)
CAS No: 102296-89-9 Catalog No: AG00074Z MDL No:
Product Description
Catalog Number:
AG00074Z
Chemical Name:
Pentanedioic acid, 3-hydroxy-3-methyl-, monomethyl ester, (R)- (9CI)
CAS Number:
102296-89-9
Molecular Formula:
C7H11O5-
Molecular Weight:
175.1592
IUPAC Name:
3-hydroxy-5-methoxy-3-methyl-5-oxopentanoate
InChI:
InChI=1S/C7H12O5/c1-7(11,3-5(8)9)4-6(10)12-2/h11H,3-4H2,1-2H3,(H,8,9)/p-1
InChI Key:
UNHGPASVFNKZNR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C[C@](CC(=O)OC)(O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.16g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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