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18102-32-4 | Benzaldehyde, 4-hydroxy-3-methoxy-2-methyl-
CAS No: 18102-32-4 Catalog No: AG0022MI MDL No:
Product Description
Catalog Number:
AG0022MI
Chemical Name:
Benzaldehyde, 4-hydroxy-3-methoxy-2-methyl-
CAS Number:
18102-32-4
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
4-hydroxy-3-methoxy-2-methylbenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-6-7(5-10)3-4-8(11)9(6)12-2/h3-5,11H,1-2H3
InChI Key:
NHXMRQITQSBVLJ-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc(c1C)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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