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85373-53-1 | 2H-Pyran-2-methanol, tetrahydro-5-methyl-, trans-
CAS No: 85373-53-1 Catalog No: AG004U1W MDL No:
Product Description
Catalog Number:
AG004U1W
Chemical Name:
2H-Pyran-2-methanol, tetrahydro-5-methyl-, trans-
CAS Number:
85373-53-1
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
[(2R,5S)-5-methyloxan-2-yl]methanol
InChI:
InChI=1S/C7H14O2/c1-6-2-3-7(4-8)9-5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChI Key:
LGVYCKVSGCAMTI-NKWVEPMBSA-N
SMILES:
OC[C@H]1CC[C@@H](CO1)C
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0.7
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