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Home > Aldehydes > 111171-21-2
111171-21-2 | Benzaldehyde, 3-chloro-6-hydroxy-5-(hydroxymethyl)-2,4-dimethyl-
CAS No: 111171-21-2 Catalog No: AG0082VR MDL No:
Product Description
Catalog Number:
AG0082VR
Chemical Name:
Benzaldehyde, 3-chloro-6-hydroxy-5-(hydroxymethyl)-2,4-dimethyl-
CAS Number:
111171-21-2
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
5-chloro-2-hydroxy-3-(hydroxymethyl)-4,6-dimethylbenzaldehyde
InChI:
InChI=1S/C10H11ClO3/c1-5-7(3-12)10(14)8(4-13)6(2)9(5)11/h3,13-14H,4H2,1-2H3
InChI Key:
KTRGPMGYXQSJNU-UHFFFAOYSA-N
SMILES:
OCc1c(O)c(C=O)c(c(c1C)Cl)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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