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126380-42-5

126380-42-5 | 2-Furanmethanol, 5-(1,3-dioxolan-2-yl)-, 2-acetate

CAS No: 126380-42-5 Catalog No: AG000SPS MDL No:

Product Description

Catalog Number:
AG000SPS
Chemical Name:
2-Furanmethanol, 5-(1,3-dioxolan-2-yl)-, 2-acetate
CAS Number:
126380-42-5
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
IUPAC Name:
acetic acid;[5-(1,3-dioxolan-2-yl)furan-2-yl]methanol
InChI:
InChI=1S/C8H10O4.C2H4O2/c9-5-6-1-2-7(12-6)8-10-3-4-11-8;1-2(3)4/h1-2,8-9H,3-5H2;1H3,(H,3,4)
InChI Key:
YHQMIOSQMBEQRP-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccc(o1)C1OCCO1

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.216g/mol
Monoisotopic Mass:
230.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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