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Home > Aldehydes > 872176-88-0
872176-88-0 | 2H-1-Benzopyran-3-carboxaldehyde, 6-methoxy-2,2-dimethyl-
CAS No: 872176-88-0 Catalog No: AG004MUR MDL No:
Product Description
Catalog Number:
AG004MUR
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 6-methoxy-2,2-dimethyl-
CAS Number:
872176-88-0
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
6-methoxy-2,2-dimethylchromene-3-carbaldehyde
InChI:
InChI=1S/C13H14O3/c1-13(2)10(8-14)6-9-7-11(15-3)4-5-12(9)16-13/h4-8H,1-3H3
InChI Key:
MLCFRLHOMPEQLO-UHFFFAOYSA-N
SMILES:
O=CC1=Cc2cc(OC)ccc2OC1(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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