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122442-02-8 | 3-Pyrrolidineacetic acid, (3S)-
CAS No: 122442-02-8 Catalog No: AG00178U MDL No:MFCD09834147
Product Description
Catalog Number:
AG00178U
Chemical Name:
3-Pyrrolidineacetic acid, (3S)-
CAS Number:
122442-02-8
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD09834147
IUPAC Name:
2-[(3S)-pyrrolidin-3-yl]acetic acid
InChI:
InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChI Key:
OUENRUZPZZFMCA-YFKPBYRVSA-N
SMILES:
OC(=O)C[C@H]1CNCC1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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