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1920-21-4 | 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-2,5-dimethyl-
CAS No: 1920-21-4 Catalog No: AG002FL7 MDL No:
Product Description
Catalog Number:
AG002FL7
Chemical Name:
2H-Pyran-2-carboxaldehyde, 3,4-dihydro-2,5-dimethyl-
CAS Number:
1920-21-4
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2,5-dimethyl-3,4-dihydropyran-2-carbaldehyde
InChI:
InChI=1S/C8H12O2/c1-7-3-4-8(2,6-9)10-5-7/h5-6H,3-4H2,1-2H3
InChI Key:
DYVJZCIYRQUXBA-UHFFFAOYSA-N
SMILES:
CC1(CCC(=CO1)C)C=O
EC Number:
217-647-1
NSC Number:
44984
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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