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6560-65-2 | α4,3-Isopropylideneisopyridoxal
CAS No: 6560-65-2 Catalog No: AG00ECQL MDL No:MFCD09901809
Product Description
Catalog Number:
AG00ECQL
Chemical Name:
α4,3-Isopropylideneisopyridoxal
CAS Number:
6560-65-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD09901809
IUPAC Name:
2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carbaldehyde
InChI:
InChI=1S/C11H13NO3/c1-7-10-9(8(5-13)4-12-7)6-14-11(2,3)15-10/h4-5H,6H2,1-3H3
InChI Key:
PECKJUIKFHWAGE-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(c2c1COC(O2)(C)C)C
EC Number:
922-317-1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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