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Home > Aldehydes > 115436-61-8
115436-61-8 | 1,3-Benzenedicarboxaldehyde, 2,5-dimethyl-
CAS No: 115436-61-8 Catalog No: AG000FZT MDL No:
Product Description
Catalog Number:
AG000FZT
Chemical Name:
1,3-Benzenedicarboxaldehyde, 2,5-dimethyl-
CAS Number:
115436-61-8
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
2,5-dimethylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C10H10O2/c1-7-3-9(5-11)8(2)10(4-7)6-12/h3-6H,1-2H3
InChI Key:
QRQWWOMGFKTGTH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1C)C=O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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