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89004-79-5 | 2(5H)-Furanone, 3-(1,1-dimethylethyl)-5-ethylidene-4-hydroxy-, (Z)-
CAS No: 89004-79-5 Catalog No: AG00450B MDL No:
Product Description
Catalog Number:
AG00450B
Chemical Name:
2(5H)-Furanone, 3-(1,1-dimethylethyl)-5-ethylidene-4-hydroxy-, (Z)-
CAS Number:
89004-79-5
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
3-tert-butyl-5-ethylidene-4-hydroxyfuran-2-one
InChI:
InChI=1S/C10H14O3/c1-5-6-8(11)7(9(12)13-6)10(2,3)4/h5,11H,1-4H3
InChI Key:
MWOBMOGUBNINFW-UHFFFAOYSA-N
SMILES:
C/C=C/1\OC(=O)C(=C1O)C(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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