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129400-09-5 | Butanoic acid, 2-methoxy-3-oxo-, ethyl ester
CAS No: 129400-09-5 Catalog No: AG000Z4E MDL No:MFCD23135765
Product Description
Catalog Number:
AG000Z4E
Chemical Name:
Butanoic acid, 2-methoxy-3-oxo-, ethyl ester
CAS Number:
129400-09-5
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD23135765
IUPAC Name:
ethyl 2-methoxy-3-oxobutanoate
InChI:
InChI=1S/C7H12O4/c1-4-11-7(9)6(10-3)5(2)8/h6H,4H2,1-3H3
InChI Key:
DRZYDJCJGUTAQC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)OC
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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