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1363382-15-3 | 2H-Pyran, 4-ethynyltetrahydro-4-methyl-
CAS No: 1363382-15-3 Catalog No: AG0011Q9 MDL No:MFCD22419339
Product Description
Catalog Number:
AG0011Q9
Chemical Name:
2H-Pyran, 4-ethynyltetrahydro-4-methyl-
CAS Number:
1363382-15-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
MDL Number:
MFCD22419339
IUPAC Name:
4-ethynyl-4-methyloxane
InChI:
InChI=1S/C8H12O/c1-3-8(2)4-6-9-7-5-8/h1H,4-7H2,2H3
InChI Key:
FCECDEBZYQPIIW-UHFFFAOYSA-N
SMILES:
C#CC1(C)CCOCC1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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