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54700-36-6 | 2-hydroxy-4-methoxy-3-methylbenzaldehyde
CAS No: 54700-36-6 Catalog No: AG01EWF8 MDL No:
Product Description
Catalog Number:
AG01EWF8
Chemical Name:
2-hydroxy-4-methoxy-3-methylbenzaldehyde
CAS Number:
54700-36-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
2-hydroxy-4-methoxy-3-methylbenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-6-8(12-2)4-3-7(5-10)9(6)11/h3-5,11H,1-2H3
InChI Key:
MWCPNBQNOZAZCM-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)O)C=O
Properties
Complexity:
158
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:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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