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2227692-59-1 | 2-[(3R)-pyrrolidin-3-yloxy]acetic acid hydrochloride
CAS No: 2227692-59-1 Catalog No: AG01FIBY MDL No:
Product Description
Catalog Number:
AG01FIBY
Chemical Name:
2-[(3R)-pyrrolidin-3-yloxy]acetic acid hydrochloride
CAS Number:
2227692-59-1
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
IUPAC Name:
2-[(3R)-pyrrolidin-3-yl]oxyacetic acid;hydrochloride
InChI:
InChI=1S/C6H11NO3.ClH/c8-6(9)4-10-5-1-2-7-3-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m1./s1
InChI Key:
HVMFNAFAIQPXAA-NUBCRITNSA-N
SMILES:
OC(=O)CO[C@H]1CNCC1.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.616g/mol
Monoisotopic Mass:
181.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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