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94022-34-1 | 4-OXO-4H-PYRAN-3-YL ISOBUTYRATE
CAS No: 94022-34-1 Catalog No: AG005W0U MDL No:
Product Description
Catalog Number:
AG005W0U
Chemical Name:
4-OXO-4H-PYRAN-3-YL ISOBUTYRATE
CAS Number:
94022-34-1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
(4-oxopyran-3-yl) 2-methylpropanoate
InChI:
InChI=1S/C9H10O4/c1-6(2)9(11)13-8-5-12-4-3-7(8)10/h3-6H,1-2H3
InChI Key:
PVKKITURLYACSF-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Oc1coccc1=O
EC Number:
301-530-8
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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