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19611-45-1 | 2H-PYRAN-2-CARBOXALDEHYDE, TETRAHYDRO-
CAS No: 19611-45-1 Catalog No: AG00ABEU MDL No:MFCD08235010
Product Description
Catalog Number:
AG00ABEU
Chemical Name:
2H-PYRAN-2-CARBOXALDEHYDE, TETRAHYDRO-
CAS Number:
19611-45-1
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD08235010
IUPAC Name:
oxane-2-carbaldehyde
InChI:
InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h5-6H,1-4H2
InChI Key:
XEZQLSOFXLPSJR-UHFFFAOYSA-N
SMILES:
O=CC1CCCCO1
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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