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Structure

Sodium isobutyl 2-butenedioate

CAS
85099-22-5
Catalog Number
ACM85099225
Category
Other Products
Molecular Weight
194.160310 [g/mol]
Molecular Formula
C8H12O4Na

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Specification

Synonyms
Sodium isobutyl 2-butenedioate, EINECS 285-477-5, CID6366031, 85099-22-5
IUPAC Name
sodium (E)-4-(2-methylpropoxy)-4-oxobut-2-enoate
Canonical SMILES
CC(C)COC(=O)C=CC(=O)[O-].[Na+]
InChI Key
NOPQDTLCPQHNRM-BJILWQEISA-M
Boiling Point
281.4ºC at 760 mmHg
Flash Point
110ºC
EC Number
285-477-5
Exact Mass
194.05600
H-Bond Acceptor
4
H-Bond Donor
0
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