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Home > Aldehydes > 225526-42-1
225526-42-1 | 1H-2-BENZOPYRAN-7-CARBOXALDEHYDE, 3,4-DIHYDRO-6-METHOXY-1-METHYL-1-(TRIFLUOROMETHYL)-
CAS No: 225526-42-1 Catalog No: AG007OBM MDL No:
Product Description
Catalog Number:
AG007OBM
Chemical Name:
1H-2-BENZOPYRAN-7-CARBOXALDEHYDE, 3,4-DIHYDRO-6-METHOXY-1-METHYL-1-(TRIFLUOROMETHYL)-
CAS Number:
225526-42-1
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
IUPAC Name:
6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromene-7-carbaldehyde
InChI:
InChI=1S/C13H13F3O3/c1-12(13(14,15)16)10-5-9(7-17)11(18-2)6-8(10)3-4-19-12/h5-7H,3-4H2,1-2H3
InChI Key:
RDOKLDFJIBLNAR-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(cc1OC)CCOC2(C)C(F)(F)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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