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165876-16-4 | 2H-Pyran-4-ol, tetrahydro-2-methyl-, (2S-trans)- (9CI)
CAS No: 165876-16-4 Catalog No: AG001WDN MDL No:MFCD23105610
Product Description
Catalog Number:
AG001WDN
Chemical Name:
2H-Pyran-4-ol, tetrahydro-2-methyl-, (2S-trans)- (9CI)
CAS Number:
165876-16-4
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD23105610
IUPAC Name:
(2S,4R)-2-methyloxan-4-ol
InChI:
InChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
InChI Key:
ZHPKAPJNEIKPGV-NTSWFWBYSA-N
SMILES:
O[C@@H]1CCO[C@H](C1)C
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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