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5554-99-4 | (2-Methylfuran-3-yl)methanol
CAS No: 5554-99-4 Catalog No: AG003I8D MDL No:MFCD00052572
Product Description
Catalog Number:
AG003I8D
Chemical Name:
(2-Methylfuran-3-yl)methanol
CAS Number:
5554-99-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00052572
IUPAC Name:
(2-methylfuran-3-yl)methanol
InChI:
InChI=1S/C6H8O2/c1-5-6(4-7)2-3-8-5/h2-3,7H,4H2,1H3
InChI Key:
FTYOGLDPNBZSQC-UHFFFAOYSA-N
SMILES:
Cc1occc1CO
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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