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90300-38-2 | 2H-1-Benzopyran-8-carboxaldehyde, 5-methoxy-2,2-dimethyl-
CAS No: 90300-38-2 Catalog No: AG006SNH MDL No:
Product Description
Catalog Number:
AG006SNH
Chemical Name:
2H-1-Benzopyran-8-carboxaldehyde, 5-methoxy-2,2-dimethyl-
CAS Number:
90300-38-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
5-methoxy-2,2-dimethylchromene-8-carbaldehyde
InChI:
InChI=1S/C13H14O3/c1-13(2)7-6-10-11(15-3)5-4-9(8-14)12(10)16-13/h4-8H,1-3H3
InChI Key:
VJFMEQDWGMBIBF-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C=CC(O2)(C)C)C=O
Properties
Complexity:
296
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:
2.3
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