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92582-06-4 | ethyl 3-hydroxy-4-oxo-3-phenylcyclohexanecarboxylate
CAS No: 92582-06-4 Catalog No: AG006GMS MDL No:
Product Description
Catalog Number:
AG006GMS
Chemical Name:
ethyl 3-hydroxy-4-oxo-3-phenylcyclohexanecarboxylate
CAS Number:
92582-06-4
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
ethyl 3-hydroxy-4-oxo-3-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C15H18O4/c1-2-19-14(17)11-8-9-13(16)15(18,10-11)12-6-4-3-5-7-12/h3-7,11,18H,2,8-10H2,1H3
InChI Key:
RVJZUUGBJKERTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)C(C1)(O)c1ccccc1
NSC Number:
10177
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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