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207798-77-4

207798-77-4 | 1-Piperazinecarboxylic acid, 4-borono-, 1-methyl ester (9CI)

CAS No: 207798-77-4 Catalog No: AG002J9T MDL No:

Product Description

Catalog Number:
AG002J9T
Chemical Name:
1-Piperazinecarboxylic acid, 4-borono-, 1-methyl ester (9CI)
CAS Number:
207798-77-4
Molecular Formula:
C6H13BN2O4
Molecular Weight:
187.9894
IUPAC Name:
(4-methoxycarbonylpiperazin-1-yl)boronic acid
InChI:
InChI=1S/C6H13BN2O4/c1-13-6(10)8-2-4-9(5-3-8)7(11)12/h11-12H,2-5H2,1H3
InChI Key:
JPQLFRIZJGZKHZ-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCN(CC1)B(O)O

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.097g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.99g/mol
Monoisotopic Mass:
188.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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