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89203-00-9 | Acetic acid, (dihydro-2(3H)-furanylidene)-, (Z)-
CAS No: 89203-00-9 Catalog No: AG0045NY MDL No:
Product Description
Catalog Number:
AG0045NY
Chemical Name:
Acetic acid, (dihydro-2(3H)-furanylidene)-, (Z)-
CAS Number:
89203-00-9
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2-(oxolan-2-ylidene)acetic acid
InChI:
InChI=1S/C6H8O3/c7-6(8)4-5-2-1-3-9-5/h4H,1-3H2,(H,7,8)
InChI Key:
DMSHTJZZUDJAPT-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\1/CCCO1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| rac-(Z)-Ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyltetrahydrofuran-2-ylidene]acetate. | Acta crystallographica. Section C, Crystal structure communications 20061101 |
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