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102605-98-1 | 2,4-Hexadienal, 5-hydroxy-, (E,Z)- (9CI)
CAS No: 102605-98-1 Catalog No: AG0007WQ MDL No:
Product Description
Catalog Number:
AG0007WQ
Chemical Name:
2,4-Hexadienal, 5-hydroxy-, (E,Z)- (9CI)
CAS Number:
102605-98-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
6-hydroxyhexa-3,5-dien-2-one
InChI:
InChI=1S/C6H8O2/c1-6(8)4-2-3-5-7/h2-5,7H,1H3
InChI Key:
YLUVSOSEFIBPKJ-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C(\O)/C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.5
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