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20301-27-3 | 2-Furanmethanol, phosphate (3:1) (9CI)
CAS No: 20301-27-3 Catalog No: AG0028N7 MDL No:
Product Description
Catalog Number:
AG0028N7
Chemical Name:
2-Furanmethanol, phosphate (3:1) (9CI)
CAS Number:
20301-27-3
Molecular Formula:
C15H21O10P
Molecular Weight:
392.2950
IUPAC Name:
furan-2-ylmethanol;phosphoric acid
InChI:
InChI=1S/3C5H6O2.H3O4P/c3*6-4-5-2-1-3-7-5;1-5(2,3)4/h3*1-3,6H,4H2;(H3,1,2,3,4)
InChI Key:
YFNXAPUDWMPWOW-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OCc1ccco1.OCc1ccco1.OCc1ccco1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.087g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
392.297g/mol
Monoisotopic Mass:
392.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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