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42044-93-9 | 5-Ethyl-2-hydroxy-3-methoxy-benzaldehyde
CAS No: 42044-93-9 Catalog No: AG01FC4L MDL No:MFCD06740706
Product Description
Catalog Number:
AG01FC4L
Chemical Name:
5-Ethyl-2-hydroxy-3-methoxy-benzaldehyde
CAS Number:
42044-93-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06740706
IUPAC Name:
5-ethyl-2-hydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-3-7-4-8(6-11)10(12)9(5-7)13-2/h4-6,12H,3H2,1-2H3
InChI Key:
YSHWKKGQACCKOW-UHFFFAOYSA-N
SMILES:
CCc1cc(OC)c(c(c1)C=O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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