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94232-74-3 | MCPB-ethylhexylester
CAS No: 94232-74-3 Catalog No: AG01FNZI MDL No:
Product Description
Catalog Number:
AG01FNZI
Chemical Name:
MCPB-ethylhexylester
CAS Number:
94232-74-3
IUPAC Name:
2-ethylhexyl 4-(4-chloro-2-methylphenoxy)butanoate
InChI:
InChI=1S/C19H29ClO3/c1-4-6-8-16(5-2)14-23-19(21)9-7-12-22-18-11-10-17(20)13-15(18)3/h10-11,13,16H,4-9,12,14H2,1-3H3
InChI Key:
SOEMOICFERWGCW-UHFFFAOYSA-N
EC Number:
304-003-0
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.888g/mol
Monoisotopic Mass:
340.181g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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