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199917-42-5 | L-Proline, 1-methyl-, hydrate (1:1)
CAS No: 199917-42-5 Catalog No: AG002CFN MDL No:MFCD00149962
Product Description
Catalog Number:
AG002CFN
Chemical Name:
L-Proline, 1-methyl-, hydrate (1:1)
CAS Number:
199917-42-5
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
MDL Number:
MFCD00149962
IUPAC Name:
(2S)-1-methylpyrrolidine-2-carboxylic acid;hydrate
InChI:
InChI=1S/C6H11NO2.H2O/c1-7-4-2-3-5(7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H2/t5-;/m0./s1
InChI Key:
IXBKFJZWNAVSHW-JEDNCBNOSA-N
SMILES:
CN1CCC[C@H]1C(=O)O.O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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