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35893-95-9 | 2-oxo-2H-chromene-4-carbaldehyde
CAS No: 35893-95-9 Catalog No: AG01AFVO MDL No:MFCD18450568
Product Description
Catalog Number:
AG01AFVO
Chemical Name:
2-oxo-2H-chromene-4-carbaldehyde
CAS Number:
35893-95-9
Molecular Formula:
C10H6O3
Molecular Weight:
174.1528
MDL Number:
MFCD18450568
IUPAC Name:
2-oxochromene-4-carbaldehyde
InChI:
InChI=1S/C10H6O3/c11-6-7-5-10(12)13-9-4-2-1-3-8(7)9/h1-6H
InChI Key:
FCUOBLMMCCBYKO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)oc2c1cccc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.155g/mol
Monoisotopic Mass:
174.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Enantioselective intramolecular [2+2] photocycloaddition reactions of 4-substituted coumarins catalyzed by a chiral Lewis acid. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120611 |
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