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126766-61-8 | 1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, methyl ester, (S)- (9CI)
CAS No: 126766-61-8 Catalog No: AG000T7U MDL No:
Product Description
Catalog Number:
AG000T7U
Chemical Name:
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, methyl ester, (S)- (9CI)
CAS Number:
126766-61-8
Molecular Formula:
C7H14N2O3
Molecular Weight:
174.1977
IUPAC Name:
methyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C7H14N2O3/c1-12-7(11)9-3-2-8-6(4-9)5-10/h6,8,10H,2-5H2,1H3/t6-/m0/s1
InChI Key:
URRJXZRIRRSAAC-LURJTMIESA-N
SMILES:
OC[C@H]1NCCN(C1)C(=O)OC
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.2g/mol
Monoisotopic Mass:
174.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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