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25333-24-8 | Methyl 4-oxo-4-phenylbutanoate
CAS No: 25333-24-8 Catalog No: AG003RRB MDL No:MFCD00014906
Product Description
Catalog Number:
AG003RRB
Chemical Name:
Methyl 4-oxo-4-phenylbutanoate
CAS Number:
25333-24-8
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00014906
IUPAC Name:
methyl 4-oxo-4-phenylbutanoate
InChI:
InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
XVRCVKWYKYJEIG-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1ccccc1
NSC Number:
27900
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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