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7721-61-1 | Benzaldehyde, 5-hydroxy-4-methoxy-2-methyl-
CAS No: 7721-61-1 Catalog No: AG005D5I MDL No:MFCD01605783
Product Description
Catalog Number:
AG005D5I
Chemical Name:
Benzaldehyde, 5-hydroxy-4-methoxy-2-methyl-
CAS Number:
7721-61-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD01605783
IUPAC Name:
5-hydroxy-4-methoxy-2-methylbenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-6-3-9(12-2)8(11)4-7(6)5-10/h3-5,11H,1-2H3
InChI Key:
WDPJCNNIVOVKPZ-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1O)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:
1.4
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