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1330750-36-1 | 3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, hydrochloride (1:1), (3R,4R)-rel-
CAS No: 1330750-36-1 Catalog No: AG00146G MDL No:MFCD06659329
Product Description
Catalog Number:
AG00146G
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, hydrochloride (1:1), (3R,4R)-rel-
CAS Number:
1330750-36-1
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD06659329
IUPAC Name:
(3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-5(2)6-3-9-4-7(6)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t6-,7+;/m1./s1
InChI Key:
KQUQFLJSGGPCAU-HHQFNNIRSA-N
SMILES:
CC([C@H]1CNC[C@@H]1C(=O)O)C.Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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