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156443-94-6 | Pentanedial, 2-hydroxy-
CAS No: 156443-94-6 Catalog No: AG001OQL MDL No:
Product Description
Catalog Number:
AG001OQL
Chemical Name:
Pentanedial, 2-hydroxy-
CAS Number:
156443-94-6
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
2-hydroxypentanedial
InChI:
InChI=1S/C5H8O3/c6-3-1-2-5(8)4-7/h3-5,8H,1-2H2
InChI Key:
QCKVEJNIUWLVTP-UHFFFAOYSA-N
SMILES:
O=CCCC(C=O)O
Properties
Complexity:
79.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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