CAS
93762-22-2 Purity
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93762-22-2 Purity
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Tridecyl hydrogen 2-butenedioate
CAS
93762-26-6
Catalog Number
ACM93762266
Category
Other Products
Molecular Weight
298.417700 [g/mol]
Molecular Formula
C17H30O4
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Specification
Synonyms
Tridecyl hydrogen 2-butenedioate, AC1O5NN0, 93762-26-6, EINECS 297-740-1, (E)-4-oxo-4-tridecoxybut-2-enoic acid
IUPAC Name
(E)-4-oxo-4-tridecoxybut-2-enoic acid
Canonical SMILES
CCCCCCCCCCCCCOC(=O)C=CC(=O)O
InChI Key
FGACNJFGXDUISO-BUHFOSPRSA-N
Boiling Point
418.4ºC at 760 mmHg
Flash Point
140.4ºC
Density
0.991g/cm³
EC Number
297-740-1
Exact Mass
298.21400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Tridecyl hydrogen 2-butenedioate?
The molecular formula is C17H30O4.
What are the synonyms for Tridecyl hydrogen 2-butenedioate?
The synonyms are 93762-26-6, EINECS 297-740-1, SCHEMBL1013504, and SCHEMBL1013505.
What is the molecular weight of Tridecyl hydrogen 2-butenedioate?
The molecular weight is 298.4 g/mol.
What is the IUPAC name of Tridecyl hydrogen 2-butenedioate?
The IUPAC name is (E)-4-oxo-4-tridecoxybut-2-enoic acid.
What is the InChI of Tridecyl hydrogen 2-butenedioate?
The InChI is InChI=1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19/h13-14H,2-12,15H2,1H3,(H,18,19)/b14-13+.
What is the InChIKey of Tridecyl hydrogen 2-butenedioate?
The InChIKey is FGACNJFGXDUISO-BUHFOSPRSA-N.
What is the canonical SMILES of Tridecyl hydrogen 2-butenedioate?
The canonical SMILES is CCCCCCCCCCCCCOC(=O)C=CC(=O)O.
What is the isomeric SMILES of Tridecyl hydrogen 2-butenedioate?
The isomeric SMILES is CCCCCCCCCCCCCOC(=O)/C=C/C(=O)O.
What is the CAS number of Tridecyl hydrogen 2-butenedioate?
The CAS number is 93762-26-6.
What is the EC number of Tridecyl hydrogen 2-butenedioate?
The EC number is 297-740-1.
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