CAS 210647-03-3 | 2-(1,4-dioxan-2-yl)acetic acid | CAS Number 210647-03-3

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210647-03-3 | 2-(1,4-dioxan-2-yl)acetic acid

CAS No: 210647-03-3 Catalog No: AG002KWP MDL No:MFCD19228692

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:

MFCD19228692

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

146.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.142g/mol

Monoisotopic Mass:

146.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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