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88594-00-7 | Butanoic acid, 3-oxo-, 2-chloropropyl ester
CAS No: 88594-00-7 Catalog No: AG004BM4 MDL No:
Product Description
Catalog Number:
AG004BM4
Chemical Name:
Butanoic acid, 3-oxo-, 2-chloropropyl ester
CAS Number:
88594-00-7
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
2-chloropropyl 3-oxobutanoate
InChI:
InChI=1S/C7H11ClO3/c1-5(8)4-11-7(10)3-6(2)9/h5H,3-4H2,1-2H3
InChI Key:
PZISUEUDMNMOCP-UHFFFAOYSA-N
SMILES:
CC(COC(=O)CC(=O)C)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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