Home Halogens methyl 3-chloro-2-hydroxy-2-methylpropanoate

methyl 3-chloro-2-hydroxy-2-methylpropanoate

CAS No.:
54051-05-7
Catalog Number:
AG01AJQY
Molecular Formula:
C5H9ClO3
Molecular Weight:
152.5762
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Product Description
Catalog Number:
AG01AJQY
Chemical Name:
methyl 3-chloro-2-hydroxy-2-methylpropanoate
CAS Number:
54051-05-7
Molecular Formula:
C5H9ClO3
Molecular Weight:
152.5762
MDL Number:
MFCD19232471
IUPAC Name:
methyl 3-chloro-2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C5H9ClO3/c1-5(8,3-6)4(7)9-2/h8H,3H2,1-2H3
InChI Key:
BDSVDNFVTBADFO-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC)(CCl)O
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.024g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.574g/mol
Monoisotopic Mass:
152.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties