Home Carboxys 2-(propan-2-yl)oxane-3-carboxylic acid

2-(propan-2-yl)oxane-3-carboxylic acid

CAS No.:
1462238-06-7
Catalog Number:
AG01BD3X
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01BD3X
Chemical Name:
2-(propan-2-yl)oxane-3-carboxylic acid
CAS Number:
1462238-06-7
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD21649051
IUPAC Name:
2-propan-2-yloxane-3-carboxylic acid
InChI:
InChI=1S/C9H16O3/c1-6(2)8-7(9(10)11)4-3-5-12-8/h6-8H,3-5H2,1-2H3,(H,10,11)
InChI Key:
SNWATFVBWAQZGP-UHFFFAOYSA-N
SMILES:
CC(C1OCCCC1C(=O)O)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties