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2754-18-9 | Oxetane-3,3-diyldimethanol
CAS No: 2754-18-9 Catalog No: AG002U1A MDL No:MFCD00463708
Product Description
Catalog Number:
AG002U1A
Chemical Name:
Oxetane-3,3-diyldimethanol
CAS Number:
2754-18-9
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00463708
IUPAC Name:
[3-(hydroxymethyl)oxetan-3-yl]methanol
InChI:
InChI=1S/C5H10O3/c6-1-5(2-7)3-8-4-5/h6-7H,1-4H2
InChI Key:
QSGREIXRTDCBHO-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC1
UNII:
G52Q07446Y
Properties
Complexity:
71.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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