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502609-47-4 | (4-Methyltetrahydro-2H-pyran-4-yl)methanol
CAS No: 502609-47-4 Catalog No: AG003K8K MDL No:MFCD13184220
Product Description
Catalog Number:
AG003K8K
Chemical Name:
(4-Methyltetrahydro-2H-pyran-4-yl)methanol
CAS Number:
502609-47-4
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD13184220
IUPAC Name:
(4-methyloxan-4-yl)methanol
InChI:
InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3
InChI Key:
HKNGCILTDHGUEO-UHFFFAOYSA-N
SMILES:
OCC1(C)CCOCC1
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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