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114037-62-6 | L-Proline, 1-(1-naphthalenylsulfonyl)-
CAS No: 114037-62-6 Catalog No: AG000ACK MDL No:
Product Description
Catalog Number:
AG000ACK
Chemical Name:
L-Proline, 1-(1-naphthalenylsulfonyl)-
CAS Number:
114037-62-6
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
(2S)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H15NO4S/c17-15(18)13-8-4-10-16(13)21(19,20)14-9-3-6-11-5-1-2-7-12(11)14/h1-3,5-7,9,13H,4,8,10H2,(H,17,18)/t13-/m0/s1
InChI Key:
KMCTXIYLPLOFAA-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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