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1951-37-7 | 1,3-Benzenedicarboxaldehyde, 2-methoxy-
CAS No: 1951-37-7 Catalog No: AG007RDJ MDL No:
Product Description
Catalog Number:
AG007RDJ
Chemical Name:
1,3-Benzenedicarboxaldehyde, 2-methoxy-
CAS Number:
1951-37-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
2-methoxybenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O3/c1-12-9-7(5-10)3-2-4-8(9)6-11/h2-6H,1H3
InChI Key:
UCSQZOJYEKEZID-UHFFFAOYSA-N
SMILES:
COc1c(C=O)cccc1C=O
Properties
Complexity:
151
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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