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868151-10-4 | 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-(3-methoxyphenyl)-
CAS No: 868151-10-4 Catalog No: AG004J2O MDL No:MFCD06659350
Product Description
Catalog Number:
AG004J2O
Chemical Name:
1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-(3-methoxyphenyl)-
CAS Number:
868151-10-4
Molecular Formula:
C18H26N2O5
Molecular Weight:
350.4094
MDL Number:
MFCD06659350
IUPAC Name:
2-(3-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
InChI:
InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-10-8-19(9-11-20)15(16(21)22)13-6-5-7-14(12-13)24-4/h5-7,12,15H,8-11H2,1-4H3,(H,21,22)
InChI Key:
TXLCONZZXXHPEB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.415g/mol
Monoisotopic Mass:
350.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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