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89938-56-7 | 5-CHLORO-4-METHOXYSALICYLALDEHYDE
CAS No: 89938-56-7 Catalog No: AG003MO7 MDL No:MFCD08059080
Product Description
Catalog Number:
AG003MO7
Chemical Name:
5-CHLORO-4-METHOXYSALICYLALDEHYDE
CAS Number:
89938-56-7
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
MDL Number:
MFCD08059080
IUPAC Name:
5-chloro-2-hydroxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H7ClO3/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-4,11H,1H3
InChI Key:
ZZMHVBPSRKMWLT-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1Cl)C=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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