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1198285-38-9 | 1-Piperidinecarboxylic acid, 4-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1198285-38-9 Catalog No: AG000PQI MDL No:MFCD07371494
Product Description
Catalog Number:
AG000PQI
Chemical Name:
1-Piperidinecarboxylic acid, 4-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1198285-38-9
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
MDL Number:
MFCD07371494
IUPAC Name:
tert-butyl 4-(3-formylphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-9-7-14(8-10-18)15-6-4-5-13(11-15)12-19/h4-6,11-12,14H,7-10H2,1-3H3
InChI Key:
QQYNNFALXKPDOU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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