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816-11-5 | Butanoic acid,2-ethyl-, methyl ester
CAS No: 816-11-5 Catalog No: AG005JRY MDL No:MFCD00225587
Product Description
Catalog Number:
AG005JRY
Chemical Name:
Butanoic acid,2-ethyl-, methyl ester
CAS Number:
816-11-5
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00225587
IUPAC Name:
methyl 2-ethylbutanoate
InChI:
InChI=1S/C7H14O2/c1-4-6(5-2)7(8)9-3/h6H,4-5H2,1-3H3
InChI Key:
UNEAEGWIVFZPFI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC)CC
EC Number:
212-428-7
NSC Number:
509555
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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