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137870-76-9 | Proline, 1-benzoyl-2-methyl-
CAS No: 137870-76-9 Catalog No: AG00A93N MDL No:MFCD19381850
Product Description
Catalog Number:
AG00A93N
Chemical Name:
Proline, 1-benzoyl-2-methyl-
CAS Number:
137870-76-9
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD19381850
IUPAC Name:
1-benzoyl-2-methylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-13(12(16)17)8-5-9-14(13)11(15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,17)
InChI Key:
KBBGVLJOPVWVFH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCN1C(=O)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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