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80900-78-3 | 3-(Mercaptomethyl)-2-oxo-1-piperidineacetic acid
CAS No: 80900-78-3 Catalog No: AG005IAC MDL No:
Product Description
Catalog Number:
AG005IAC
Chemical Name:
3-(Mercaptomethyl)-2-oxo-1-piperidineacetic acid
CAS Number:
80900-78-3
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
IUPAC Name:
2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetic acid
InChI:
InChI=1S/C8H13NO3S/c10-7(11)4-9-3-1-2-6(5-13)8(9)12/h6,13H,1-5H2,(H,10,11)
InChI Key:
YQRNEFFCJKUMIN-UHFFFAOYSA-N
SMILES:
SCC1CCCN(C1=O)CC(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Analysis of defensive responses activated by volatile allo-ocimene treatment in Arabidopsis thaliana. | Phytochemistry 20060701 |
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