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1257849-25-4 | 1-Piperazinecarboxylic acid, 4-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1257849-25-4 Catalog No: AG000OPF MDL No:MFCD06657284
Product Description
Catalog Number:
AG000OPF
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1257849-25-4
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD06657284
IUPAC Name:
tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-7-17(8-10-18)14-6-4-5-13(11-14)12-19/h4-6,11-12H,7-10H2,1-3H3
InChI Key:
WAZWDNBEXXXPQA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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