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101418-15-9 | Carbonic acid, 1-methyl-4-phenyl-4-piperidinyl phenyl ester
CAS No: 101418-15-9 Catalog No: AG0004G6 MDL No:
Product Description
Catalog Number:
AG0004G6
Chemical Name:
Carbonic acid, 1-methyl-4-phenyl-4-piperidinyl phenyl ester
CAS Number:
101418-15-9
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
(1-methyl-4-phenylpiperidin-4-yl) phenyl carbonate
InChI:
InChI=1S/C19H21NO3/c1-20-14-12-19(13-15-20,16-8-4-2-5-9-16)23-18(21)22-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChI Key:
JAWVTCCRYNKTAD-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(OC(=O)Oc1ccccc1)c1ccccc1
NSC Number:
665332
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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