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1198283-87-2 | 1-Piperidinecarboxylic acid, 4-(3-acetylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1198283-87-2 Catalog No: AG000PQQ MDL No:MFCD11111398
Product Description
Catalog Number:
AG000PQQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(3-acetylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1198283-87-2
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
MDL Number:
MFCD11111398
IUPAC Name:
tert-butyl 4-(3-acetylphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C18H25NO3/c1-13(20)15-6-5-7-16(12-15)14-8-10-19(11-9-14)17(21)22-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3
InChI Key:
CVPMXQHBQZSDKH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1cccc(c1)C(=O)C)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.402g/mol
Monoisotopic Mass:
303.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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