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101418-14-8 | Carbonic acid, methyl 1-methyl-4-phenyl-4-piperidinyl ester
CAS No: 101418-14-8 Catalog No: AG0004G7 MDL No:
Product Description
Catalog Number:
AG0004G7
Chemical Name:
Carbonic acid, methyl 1-methyl-4-phenyl-4-piperidinyl ester
CAS Number:
101418-14-8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
(1,2-dimethyl-4-phenylpiperidin-4-yl) carbonate
InChI:
InChI=1S/C14H19NO3/c1-11-10-14(18-13(16)17,8-9-15(11)2)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,17)/p-1
InChI Key:
LJWFRYUAIQBPIS-UHFFFAOYSA-M
SMILES:
COC(=O)OC1(CCN(CC1)C)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.129g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.302g/mol
Monoisotopic Mass:
248.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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