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MCPB METHYL ESTER

CAS No.:
57153-18-1
Catalog Number:
AG00E9L5
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
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Product Description
Catalog Number:
AG00E9L5
Chemical Name:
MCPB METHYL ESTER
CAS Number:
57153-18-1
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
MDL Number:
MFCD00055260
IUPAC Name:
methyl 4-(4-chloro-2-methylphenoxy)butanoate
InChI:
InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
FWDQLSHRVKQKBS-UHFFFAOYSA-N
SMILES:
COC(=O)CCCOc1ccc(cc1C)Cl
UNII:
UEH6N0077W
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.699g/mol
Monoisotopic Mass:
242.071g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties