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19776-79-5

19776-79-5 | 2H-Pyran-2-carboxylic acid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI)

CAS No: 19776-79-5 Catalog No: AG002AZV MDL No:

Product Description

Catalog Number:
AG002AZV
Chemical Name:
2H-Pyran-2-carboxylic acid, 5-ethyltetrahydro-2,3-dimethyl-6-oxo- (9CI)
CAS Number:
19776-79-5
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
5-ethyl-2,3-dimethyl-6-oxooxane-2-carboxylic acid
InChI:
InChI=1S/C10H16O4/c1-4-7-5-6(2)10(3,9(12)13)14-8(7)11/h6-7H,4-5H2,1-3H3,(H,12,13)
InChI Key:
SFIVAOKHDPXDRC-UHFFFAOYSA-N
SMILES:
CC1CC(CC)C(=O)OC1(C)C(=O)O

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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