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80986-17-0 | Pentanedioic acid,2-methyl-, 5-methyl ester, (2R)-
CAS No: 80986-17-0 Catalog No: AG005HT8 MDL No:
Product Description
Catalog Number:
AG005HT8
Chemical Name:
Pentanedioic acid,2-methyl-, 5-methyl ester, (2R)-
CAS Number:
80986-17-0
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
(2R)-5-methoxy-2-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C7H12O4/c1-5(7(9)10)3-4-6(8)11-2/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChI Key:
TVADYQZCBVCKSS-RXMQYKEDSA-N
SMILES:
COC(=O)CC[C@H](C(=O)O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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