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13777-75-8 | 2-Furanpropanol, 2-acetate
CAS No: 13777-75-8 Catalog No: AG0013UF MDL No:
Product Description
Catalog Number:
AG0013UF
Chemical Name:
2-Furanpropanol, 2-acetate
CAS Number:
13777-75-8
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
acetic acid;3-(furan-2-yl)propan-1-ol
InChI:
InChI=1S/C7H10O2.C2H4O2/c8-5-1-3-7-4-2-6-9-7;1-2(3)4/h2,4,6,8H,1,3,5H2;1H3,(H,3,4)
InChI Key:
PCUTYHJPXDKSIG-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCc1ccco1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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