CAS
93858-90-3 Purity
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93858-90-3 Purity
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![Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate](https://resource.alfa-chemistry.com/structure/93858-92-5.gif)
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3-Methylbutyl hydrogen 2-butenedioate
CAS
93858-95-8
Catalog Number
ACM93858958
Category
Other Products
Molecular Formula
C9H14O4
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What is the molecular formula of 3-Methylbutyl hydrogen 2-butenedioate?
The molecular formula is C9H14O4.
How is the IUPAC name of 3-Methylbutyl hydrogen 2-butenedioate computed?
The IUPAC name is computed as (E)-4-(3-methylbutoxy)-4-oxobut-2-enoic acid.
What is the InChI of 3-Methylbutyl hydrogen 2-butenedioate?
The InChI is InChI=1S/C9H14O4/c1-7(2)5-6-13-9(12)4-3-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,10,11)/b4-3+.
What is the InChIKey of 3-Methylbutyl hydrogen 2-butenedioate?
The InChIKey is BLXAXLZLJUWIGB-ONEGZZNKSA-N.
What is the canonical SMILES of 3-Methylbutyl hydrogen 2-butenedioate?
The canonical SMILES is CC(C)CCOC(=O)C=CC(=O)O.
What is the isomeric SMILES of 3-Methylbutyl hydrogen 2-butenedioate?
The isomeric SMILES is CC(C)CCOC(=O)/C=C/C(=O)O.
What is the CAS number of 3-Methylbutyl hydrogen 2-butenedioate?
The CAS number is 93858-95-8.
What is the European Community (EC) number of 3-Methylbutyl hydrogen 2-butenedioate?
The European Community (EC) number is 299-330-8.
What is the molecular weight of 3-Methylbutyl hydrogen 2-butenedioate?
The molecular weight is 186.20 g/mol.
How many rotatable bonds does 3-Methylbutyl hydrogen 2-butenedioate have?
It has 6 rotatable bonds.
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