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Home Other Building Blocks 2-(1,4-dioxan-2-yl)acetic acid

2-(1,4-dioxan-2-yl)acetic acid

CAS No.:
210647-03-3
Catalog Number:
AG002KWP
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
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Product Description
Catalog Number:
AG002KWP
Chemical Name:
2-(1,4-dioxan-2-yl)acetic acid
CAS Number:
210647-03-3
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
MDL Number:
MFCD30556333
IUPAC Name:
2-(1,4-dioxan-2-yl)acetic acid
InChI:
InChI=1S/C6H10O4/c7-6(8)3-5-4-9-1-2-10-5/h5H,1-4H2,(H,7,8)
InChI Key:
FWFUSMMVFVVERM-UHFFFAOYSA-N
SMILES:
OC(=O)CC1COCCO1
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
3β-Acet-oxy-12-oxoolean-28-oic acid benzyl ester. Acta crystallographica. Section E, Structure reports online 20110501
Synthesis of betulin derivatives and the determination of their relative lipophilicities using reversed-phase thin-layer chromatography. Biomedical chromatography : BMC 20100301
Properties