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89367-22-6 | 2-Decenal, 4,5-dihydroxy-
CAS No: 89367-22-6 Catalog No: AG003X4S MDL No:
Product Description
Catalog Number:
AG003X4S
Chemical Name:
2-Decenal, 4,5-dihydroxy-
CAS Number:
89367-22-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
4,5-dihydroxydec-2-enal
InChI:
InChI=1S/C10H18O3/c1-2-3-4-6-9(12)10(13)7-5-8-11/h5,7-10,12-13H,2-4,6H2,1H3
InChI Key:
NWKAUKARBBMDDG-UHFFFAOYSA-N
SMILES:
CCCCCC(C(C=CC=O)O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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