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Home > Aldehydes > 109987-13-5
109987-13-5 | 1,3-Benzenedicarboxaldehyde, 4-hydroxy-2-methyl-
CAS No: 109987-13-5 Catalog No: AG007EEA MDL No:
Product Description
Catalog Number:
AG007EEA
Chemical Name:
1,3-Benzenedicarboxaldehyde, 4-hydroxy-2-methyl-
CAS Number:
109987-13-5
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
4-hydroxy-2-methylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O3/c1-6-7(4-10)2-3-9(12)8(6)5-11/h2-5,12H,1H3
InChI Key:
KJNSWNOMDICOEW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)C=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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