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2539-53-9 | 4-ethoxy-3-hydroxybenzaldehyde
CAS No: 2539-53-9 Catalog No: AG01B16Z MDL No:MFCD00837591
Product Description
Catalog Number:
AG01B16Z
Chemical Name:
4-ethoxy-3-hydroxybenzaldehyde
CAS Number:
2539-53-9
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00837591
IUPAC Name:
4-ethoxy-3-hydroxybenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-6,11H,2H2,1H3
InChI Key:
BCLVKHGKEGFPJV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1O)C=O
EC Number:
219-812-3
UNII:
ZXT8NHP4HB
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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