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1805-67-0 | 1,3-Benzenedicarboxaldehyde, 5-methyl-
CAS No: 1805-67-0 Catalog No: AG00221W MDL No:MFCD00182499
Product Description
Catalog Number:
AG00221W
Chemical Name:
1,3-Benzenedicarboxaldehyde, 5-methyl-
CAS Number:
1805-67-0
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00182499
IUPAC Name:
5-methylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O2/c1-7-2-8(5-10)4-9(3-7)6-11/h2-6H,1H3
InChI Key:
UWLVWAQSMOVZKN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)cc(c1)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L. | Organic letters 20100219 |
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