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1024038-31-0 | 3-Pyrrolidineacetic acid, methyl ester, hydrochloride (1:1), (3R)-
CAS No: 1024038-31-0 Catalog No: AG0007DM MDL No:MFCD22377963
Product Description
Catalog Number:
AG0007DM
Chemical Name:
3-Pyrrolidineacetic acid, methyl ester, hydrochloride (1:1), (3R)-
CAS Number:
1024038-31-0
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD22377963
IUPAC Name:
methyl 2-[(3R)-pyrrolidin-3-yl]acetate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-7(9)4-6-2-3-8-5-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1
InChI Key:
ZDVXNHFLFAPGGA-FYZOBXCZSA-N
SMILES:
COC(=O)C[C@@H]1CNCC1.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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