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141969-45-1 | 1-Pyrrolidinehexanoic acid, 3-mercapto-2,5-dioxo-
CAS No: 141969-45-1 Catalog No: AG001HG7 MDL No:
Product Description
Catalog Number:
AG001HG7
Chemical Name:
1-Pyrrolidinehexanoic acid, 3-mercapto-2,5-dioxo-
CAS Number:
141969-45-1
Molecular Formula:
C10H15NO4S
Molecular Weight:
245.2954
IUPAC Name:
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanoic acid
InChI:
InChI=1S/C10H15NO4S/c12-8-6-7(16)10(15)11(8)5-3-1-2-4-9(13)14/h7,16H,1-6H2,(H,13,14)
InChI Key:
WCUXBNLBBGRJCW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)CC(C1=O)S
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.293g/mol
Monoisotopic Mass:
245.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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