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116528-06-4 | Propanoic acid, 2-methyl-, 2-oxoethyl ester
CAS No: 116528-06-4 Catalog No: AG000CPP MDL No:
Product Description
Catalog Number:
AG000CPP
Chemical Name:
Propanoic acid, 2-methyl-, 2-oxoethyl ester
CAS Number:
116528-06-4
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
2-oxoethyl 2-methylpropanoate
InChI:
InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h3,5H,4H2,1-2H3
InChI Key:
CSHAFUNPZJHCDD-UHFFFAOYSA-N
SMILES:
O=CCOC(=O)C(C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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