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100-72-1 | 2H-Pyran-2-methanol, tetrahydro-
CAS No: 100-72-1 Catalog No: AG00006U MDL No:MFCD00006624
Product Description
Catalog Number:
AG00006U
Chemical Name:
2H-Pyran-2-methanol, tetrahydro-
CAS Number:
100-72-1
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00006624
IUPAC Name:
oxan-2-ylmethanol
InChI:
InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChI Key:
ROTONRWJLXYJBD-UHFFFAOYSA-N
SMILES:
OCC1CCCCO1
EC Number:
202-882-4
Properties
Complexity:
63.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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