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1446332-69-9 | 1-Piperazinecarboxylic acid, 4-(4-formyl-3-hydroxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 1446332-69-9 Catalog No: AG001JW3 MDL No:MFCD26407296
Product Description
Catalog Number:
AG001JW3
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-formyl-3-hydroxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1446332-69-9
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD26407296
IUPAC Name:
tert-butyl 4-(4-formyl-3-hydroxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-8-6-17(7-9-18)13-5-4-12(11-19)14(20)10-13/h4-5,10-11,20H,6-9H2,1-3H3
InChI Key:
ZCZVQJLBRKFTDC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.362g/mol
Monoisotopic Mass:
306.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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