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16639-15-9 | Proline, 5-methyl-
CAS No: 16639-15-9 Catalog No: AG001WP7 MDL No:MFCD00142989
Product Description
Catalog Number:
AG001WP7
Chemical Name:
Proline, 5-methyl-
CAS Number:
16639-15-9
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD00142989
IUPAC Name:
5-methylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H11NO2/c1-4-2-3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChI Key:
YNSYWEFVEIFJPZ-UHFFFAOYSA-N
SMILES:
CC1CC[C@H](N1)C(=O)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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