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130000-37-2 | Butanoic acid, 2-chloro-2-ethyl-3-oxo-, ethyl ester
CAS No: 130000-37-2 Catalog No: AG000TVP MDL No:
Product Description
Catalog Number:
AG000TVP
Chemical Name:
Butanoic acid, 2-chloro-2-ethyl-3-oxo-, ethyl ester
CAS Number:
130000-37-2
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
IUPAC Name:
ethyl 2-chloro-2-ethyl-3-oxobutanoate
InChI:
InChI=1S/C8H13ClO3/c1-4-8(9,6(3)10)7(11)12-5-2/h4-5H2,1-3H3
InChI Key:
AZFLGQGBSQHBBL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CC)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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