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26172-03-2 | 1,4-Cyclohexadiene-1-carboxaldehyde, 3,6-dioxo-
CAS No: 26172-03-2 Catalog No: AG002S02 MDL No:
Product Description
Catalog Number:
AG002S02
Chemical Name:
1,4-Cyclohexadiene-1-carboxaldehyde, 3,6-dioxo-
CAS Number:
26172-03-2
Molecular Formula:
C7H4O3
Molecular Weight:
136.1049
IUPAC Name:
3,6-dioxocyclohexa-1,4-diene-1-carbaldehyde
InChI:
InChI=1S/C7H4O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4H
InChI Key:
DDPQLHOTRNIDCP-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=O)C=CC1=O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.016g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.106g/mol
Monoisotopic Mass:
136.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Cytochrome 450 1B1 (CYP1B1) polymorphisms associated with response to docetaxel in Castration-Resistant Prostate Cancer (CRPC) patients. | BMC cancer 20100101 |
| A new synthetic access to furo[3,2-f]chromene analogues of an antimycobacterial. | Bioorganic & medicinal chemistry 20080901 |
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