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39503-23-6 | Benzaldehyde,2-hydroxy-6-methoxy-4-methyl-
CAS No: 39503-23-6 Catalog No: AG0078LC MDL No:
Product Description
Catalog Number:
AG0078LC
Chemical Name:
Benzaldehyde,2-hydroxy-6-methoxy-4-methyl-
CAS Number:
39503-23-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
2-hydroxy-6-methoxy-4-methylbenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-6-3-8(11)7(5-10)9(4-6)12-2/h3-5,11H,1-2H3
InChI Key:
HEAFAVIWDSGTMD-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc(c1C=O)O
NSC Number:
143586
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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