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26453-27-0 | Pentanoic acid, 2-methoxy-4-oxo-, methyl ester
CAS No: 26453-27-0 Catalog No: AG002TA1 MDL No:
Product Description
Catalog Number:
AG002TA1
Chemical Name:
Pentanoic acid, 2-methoxy-4-oxo-, methyl ester
CAS Number:
26453-27-0
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
methyl 2-methoxy-4-oxopentanoate
InChI:
InChI=1S/C7H12O4/c1-5(8)4-6(10-2)7(9)11-3/h6H,4H2,1-3H3
InChI Key:
KFFHSQXDQPXOJE-UHFFFAOYSA-N
SMILES:
COC(C(=O)OC)CC(=O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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