Home Other Building Blocks 2-(6,6-dimethyloxan-2-yl)acetic acid

2-(6,6-dimethyloxan-2-yl)acetic acid

CAS No.:
1674389-23-1
Catalog Number:
AG01EK6T
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01EK6T
Chemical Name:
2-(6,6-dimethyloxan-2-yl)acetic acid
CAS Number:
1674389-23-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD24514367
IUPAC Name:
2-(6,6-dimethyloxan-2-yl)acetic acid
InChI:
InChI=1S/C9H16O3/c1-9(2)5-3-4-7(12-9)6-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
ABAWSZAUGYRCFD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCC(O1)(C)C
Properties
Complexity:
175  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties