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1009335-36-7 | 2-Pyrrolidinemethanol, 4-hydroxy-, hydrochloride (1:1), (2R,4R)-
CAS No: 1009335-36-7 Catalog No: AG00038V MDL No:
Product Description
Catalog Number:
AG00038V
Chemical Name:
2-Pyrrolidinemethanol, 4-hydroxy-, hydrochloride (1:1), (2R,4R)-
CAS Number:
1009335-36-7
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
IUPAC Name:
(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5-;/m1./s1
InChI Key:
IUHDMWJWUWKOFE-TYSVMGFPSA-N
SMILES:
OC[C@@H]1NC[C@@H](C1)O.Cl
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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