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923236-97-9 | 7-propoxy-2H-chromene-3-carbaldehyde
CAS No: 923236-97-9 Catalog No: AG019N8G MDL No:MFCD08445010
Product Description
Catalog Number:
AG019N8G
Chemical Name:
7-propoxy-2H-chromene-3-carbaldehyde
CAS Number:
923236-97-9
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD08445010
IUPAC Name:
7-propoxy-2H-chromene-3-carbaldehyde
InChI:
InChI=1S/C13H14O3/c1-2-5-15-12-4-3-11-6-10(8-14)9-16-13(11)7-12/h3-4,6-8H,2,5,9H2,1H3
InChI Key:
BDIAPSQKXAYRQL-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)OCC(=C2)C=O
Properties
Complexity:
272
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:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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