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65162-29-0 | 2-hydroxy-3,5-dimethoxybenzaldehyde
CAS No: 65162-29-0 Catalog No: AG01DFD4 MDL No:MFCD06740708
Product Description
Catalog Number:
AG01DFD4
Chemical Name:
2-hydroxy-3,5-dimethoxybenzaldehyde
CAS Number:
65162-29-0
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD06740708
IUPAC Name:
2-hydroxy-3,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H10O4/c1-12-7-3-6(5-10)9(11)8(4-7)13-2/h3-5,11H,1-2H3
InChI Key:
RZKNKVRCIXKLBQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C=O)O
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:
1.3
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