Home Other Building Blocks 2-(2-ethyloxan-4-yl)acetic acid

2-(2-ethyloxan-4-yl)acetic acid

CAS No.:
1341054-75-8
Catalog Number:
AG01A60R
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01A60R
Chemical Name:
2-(2-ethyloxan-4-yl)acetic acid
CAS Number:
1341054-75-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD19651655
IUPAC Name:
2-(2-ethyloxan-4-yl)acetic acid
InChI:
InChI=1S/C9H16O3/c1-2-8-5-7(3-4-12-8)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
FMSXCVOSQCXVKX-UHFFFAOYSA-N
SMILES:
CCC1OCCC(C1)CC(=O)O
Properties
Complexity:
156  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties