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Structure

Isopropyl hydrogen adipate

CAS
52221-06-4
Catalog Number
ACM52221064
Category
Other Products
Molecular Weight
188.220940 [g/mol]
Molecular Formula
C9H16O4

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Specification

Synonyms
Isopropyl hydrogen adipate, EINECS 257-751-4, CID104126, AI3-06610, Hexanedioic acid, mono(1-methylethyl) ester, 52221-06-4
IUPAC Name
6-oxo-6-propan-2-yloxyhexanoic acid
Canonical SMILES
CC(C)OC(=O)CCCCC(=O)O
InChI Key
BRPCDOLEVHTTRE-UHFFFAOYSA-N
Boiling Point
294.1ºC at 760mmHg
Flash Point
110.7ºC
Density
1.071g/cm³
EC Number
257-751-4
Exact Mass
188.10500
H-Bond Acceptor
4
H-Bond Donor
1
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