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116214-72-3 | 2(3H)-Furanone, 3-ethyldihydro-5-[(2-propynyloxy)methyl]- (9CI)
CAS No: 116214-72-3 Catalog No: AG000BXL MDL No:
Product Description
Catalog Number:
AG000BXL
Chemical Name:
2(3H)-Furanone, 3-ethyldihydro-5-[(2-propynyloxy)methyl]- (9CI)
CAS Number:
116214-72-3
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
3-ethyl-5-(prop-2-ynoxymethyl)oxolan-2-one
InChI:
InChI=1S/C10H14O3/c1-3-5-12-7-9-6-8(4-2)10(11)13-9/h1,8-9H,4-7H2,2H3
InChI Key:
ICMPSKVLKUYKIV-UHFFFAOYSA-N
SMILES:
CCC1CC(OC1=O)COCC#C
Properties
Complexity:
226
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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