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84215-52-1 | 2-Furanpropanal, a-ethylidene-b-hydroxy-
CAS No: 84215-52-1 Catalog No: AG004OPJ MDL No:
Product Description
Catalog Number:
AG004OPJ
Chemical Name:
2-Furanpropanal, a-ethylidene-b-hydroxy-
CAS Number:
84215-52-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
(Z)-2-[furan-2-yl(hydroxy)methyl]but-2-enal
InChI:
InChI=1S/C9H10O3/c1-2-7(6-10)9(11)8-4-3-5-12-8/h2-6,9,11H,1H3/b7-2+
InChI Key:
BSEXMELCOOVGNF-FARCUNLSSA-N
SMILES:
CC=C(C(c1ccco1)O)C=O
EC Number:
282-458-3
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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