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260268-00-6 | Acetic acid, 2-[2-[[2-methyl-2-(nitrosothio)propyl]amino]-2-oxoethoxy]-
CAS No: 260268-00-6 Catalog No: AG002REQ MDL No:
Product Description
Catalog Number:
AG002REQ
Chemical Name:
Acetic acid, 2-[2-[[2-methyl-2-(nitrosothio)propyl]amino]-2-oxoethoxy]-
CAS Number:
260268-00-6
Molecular Formula:
C8H14N2O5S
Molecular Weight:
250.2722
IUPAC Name:
2-[2-[(2-methyl-2-nitrososulfanylpropyl)amino]-2-oxoethoxy]acetic acid
InChI:
InChI=1S/C8H14N2O5S/c1-8(2,16-10-14)5-9-6(11)3-15-4-7(12)13/h3-5H2,1-2H3,(H,9,11)(H,12,13)
InChI Key:
PUFUDWMQZDBBHF-UHFFFAOYSA-N
SMILES:
O=NSC(CNC(=O)COCC(=O)O)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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