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144193-70-4 | 1-Penten-3-one, 4-hydroxy-, (4R)-
CAS No: 144193-70-4 Catalog No: AG001J38 MDL No:
Product Description
Catalog Number:
AG001J38
Chemical Name:
1-Penten-3-one, 4-hydroxy-, (4R)-
CAS Number:
144193-70-4
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
4-hydroxypent-1-en-3-one
InChI:
InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3-4,6H,1H2,2H3
InChI Key:
NFMJLRWCAGAETO-UHFFFAOYSA-N
SMILES:
C[C@H](C(=O)C=C)O
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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