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22934-51-6 | Benzaldehyde, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)-
CAS No: 22934-51-6 Catalog No: AG002LKW MDL No:MFCD06408022
Product Description
Catalog Number:
AG002LKW
Chemical Name:
Benzaldehyde, 2-hydroxy-3-methoxy-5-(2-propen-1-yl)-
CAS Number:
22934-51-6
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD06408022
IUPAC Name:
2-hydroxy-3-methoxy-5-prop-2-enylbenzaldehyde
InChI:
InChI=1S/C11H12O3/c1-3-4-8-5-9(7-12)11(13)10(6-8)14-2/h3,5-7,13H,1,4H2,2H3
InChI Key:
FDHXEIOBIOVBEN-UHFFFAOYSA-N
SMILES:
C=CCc1cc(OC)c(c(c1)C=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| (E)-4-Allyl-2-[(2-hydroxy-phen-yl)iminiometh-yl]-6-methoxy-phenolate. | Acta crystallographica. Section E, Structure reports online 20100401 |
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