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1003-96-9 | 3-Furanmethanol, 2,5-dimethyl-
CAS No: 1003-96-9 Catalog No: AG0001JA MDL No:MFCD11646256
Product Description
Catalog Number:
AG0001JA
Chemical Name:
3-Furanmethanol, 2,5-dimethyl-
CAS Number:
1003-96-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD11646256
IUPAC Name:
(2,5-dimethylfuran-3-yl)methanol
InChI:
InChI=1S/C7H10O2/c1-5-3-7(4-8)6(2)9-5/h3,8H,4H2,1-2H3
InChI Key:
YZKVNZQOYBRCPL-UHFFFAOYSA-N
SMILES:
OCc1cc(oc1C)C
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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