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64466-51-9 | 2-Hydroxy-3,6-dimethoxy-benzaldehyde
CAS No: 64466-51-9 Catalog No: AG01EWRY MDL No:
Product Description
Catalog Number:
AG01EWRY
Chemical Name:
2-Hydroxy-3,6-dimethoxy-benzaldehyde
CAS Number:
64466-51-9
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
2-hydroxy-3,6-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H10O4/c1-12-7-3-4-8(13-2)9(11)6(7)5-10/h3-5,11H,1-2H3
InChI Key:
TVMMXJBGOHHJBA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1O)C=O)OC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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