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85858-96-4 | 1-Piperazineacetic acid, 4-(4-hydroxybenzoyl)-, ethyl ester
CAS No: 85858-96-4 Catalog No: AG004NIL MDL No:
Product Description
Catalog Number:
AG004NIL
Chemical Name:
1-Piperazineacetic acid, 4-(4-hydroxybenzoyl)-, ethyl ester
CAS Number:
85858-96-4
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
IUPAC Name:
ethyl 2-[4-(4-hydroxybenzoyl)piperazin-1-yl]acetate
InChI:
InChI=1S/C15H20N2O4/c1-2-21-14(19)11-16-7-9-17(10-8-16)15(20)12-3-5-13(18)6-4-12/h3-6,18H,2,7-11H2,1H3
InChI Key:
XWYHSKXLXUSUSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CC1)C(=O)c1ccc(cc1)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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