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136314-45-9 | 4-Cyclopentene-1,2,3-triol, 1-(1-hydroxyethyl)-4-isocyano-
CAS No: 136314-45-9 Catalog No: AG0011M3 MDL No:
Product Description
Catalog Number:
AG0011M3
Chemical Name:
4-Cyclopentene-1,2,3-triol, 1-(1-hydroxyethyl)-4-isocyano-
CAS Number:
136314-45-9
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
1-(1-hydroxyethyl)-4-isocyanocyclopent-4-ene-1,2,3-triol
InChI:
InChI=1S/C8H11NO4/c1-4(10)8(13)3-5(9-2)6(11)7(8)12/h3-4,6-7,10-13H,1H3
InChI Key:
IGGOWFZBVPRSMG-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C1=CC(C(C1O)O)(O)C(O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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