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87424-82-6 | (E)-2-METHYL-3-(4-METHYL-2-OXO-2H-PYRAN-6-YL)-2-PROPENAL
CAS No: 87424-82-6 Catalog No: AG004G6W MDL No:
Product Description
Catalog Number:
AG004G6W
Chemical Name:
(E)-2-METHYL-3-(4-METHYL-2-OXO-2H-PYRAN-6-YL)-2-PROPENAL
CAS Number:
87424-82-6
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
2-methyl-3-(4-methyl-6-oxopyran-2-yl)prop-2-enal
InChI:
InChI=1S/C10H10O3/c1-7-3-9(4-8(2)6-11)13-10(12)5-7/h3-6H,1-2H3
InChI Key:
FGHROQDRTKFWRZ-UHFFFAOYSA-N
SMILES:
O=C/C(=C/c1cc(C)cc(=O)o1)/C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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