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288399-61-1 | 4H-1-Benzopyran-3-carboxaldehyde, 6-(1,1-dimethylethyl)-4-oxo-
CAS No: 288399-61-1 Catalog No: AG002WQH MDL No:
Product Description
Catalog Number:
AG002WQH
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 6-(1,1-dimethylethyl)-4-oxo-
CAS Number:
288399-61-1
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
IUPAC Name:
6-tert-butyl-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C14H14O3/c1-14(2,3)10-4-5-12-11(6-10)13(16)9(7-15)8-17-12/h4-8H,1-3H3
InChI Key:
LSZZADBHAIDFDM-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(cc2)C(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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