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120040-07-5 | 2H-Pyran-3(6H)-one, 6-hydroxy-6-(hydroxymethyl)-
CAS No: 120040-07-5 Catalog No: AG000Q5Z MDL No:
Product Description
Catalog Number:
AG000Q5Z
Chemical Name:
2H-Pyran-3(6H)-one, 6-hydroxy-6-(hydroxymethyl)-
CAS Number:
120040-07-5
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
6-hydroxy-6-(hydroxymethyl)pyran-3-one
InChI:
InChI=1S/C6H8O4/c7-4-6(9)2-1-5(8)3-10-6/h1-2,7,9H,3-4H2
InChI Key:
RGCSDTXDIBGXMG-UHFFFAOYSA-N
SMILES:
OC1(CO)OCC(=O)C=C1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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