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165314-42-1 | 4-Pentene-1,1,2,4-tetrol
CAS No: 165314-42-1 Catalog No: AG001W31 MDL No:
Product Description
Catalog Number:
AG001W31
Chemical Name:
4-Pentene-1,1,2,4-tetrol
CAS Number:
165314-42-1
Molecular Formula:
C5H10O4
Molecular Weight:
134.1305
IUPAC Name:
pent-4-ene-1,1,2,4-tetrol
InChI:
InChI=1S/C5H10O4/c1-3(6)2-4(7)5(8)9/h4-9H,1-2H2
InChI Key:
XDPRRGRBPQPPJV-UHFFFAOYSA-N
SMILES:
OC(=C)CC(C(O)O)O
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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