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89171-67-5 | 1,4-Heptadien-3-one, 1-hydroxy-
CAS No: 89171-67-5 Catalog No: AG003WLP MDL No:
Product Description
Catalog Number:
AG003WLP
Chemical Name:
1,4-Heptadien-3-one, 1-hydroxy-
CAS Number:
89171-67-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
1-hydroxyhepta-1,4-dien-3-one
InChI:
InChI=1S/C7H10O2/c1-2-3-4-7(9)5-6-8/h3-6,8H,2H2,1H3
InChI Key:
QSRDPEBAYNBHBW-UHFFFAOYSA-N
SMILES:
CCC=CC(=O)C=CO
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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