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18068-85-4 | 2H-Pyran-6-acetic acid, 4-methoxy-2-oxo-
CAS No: 18068-85-4 Catalog No: AG00228T MDL No:
Product Description
Catalog Number:
AG00228T
Chemical Name:
2H-Pyran-6-acetic acid, 4-methoxy-2-oxo-
CAS Number:
18068-85-4
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
IUPAC Name:
2-(4-methoxy-6-oxopyran-2-yl)acetic acid
InChI:
InChI=1S/C8H8O5/c1-12-5-2-6(3-7(9)10)13-8(11)4-5/h2,4H,3H2,1H3,(H,9,10)
InChI Key:
PUODEBFDRWOVMA-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)oc(=O)c1
NSC Number:
149787
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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