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25445-35-6 | 1,3-Benzenedicarboxaldehyde, 4-methoxy-
CAS No: 25445-35-6 Catalog No: AG007N4N MDL No:
Product Description
Catalog Number:
AG007N4N
Chemical Name:
1,3-Benzenedicarboxaldehyde, 4-methoxy-
CAS Number:
25445-35-6
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
4-methoxybenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O3/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-6H,1H3
InChI Key:
RYIGSDDWQGKRMF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)ccc1OC
Properties
Complexity:
167
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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