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Structure

Nonylphenyl hydrogen glutarate

CAS
93982-18-4
Catalog Number
ACM93982184
Category
Other Products
Molecular Weight
334.4498
Molecular Formula
C20H30O4

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Specification

Synonyms
Nonylphenyl hydrogen glutarate, EINECS 301-209-2, 93982-18-4
IUPAC Name
5-(2-nonylphenoxy)-5-oxopentanoic acid
Canonical SMILES
CCCCCCCCCC1=CC=CC=C1OC(=O)CCCC(=O)O
InChI Key
PQBJNSYXHMLIDE-UHFFFAOYSA-N
Boiling Point
491.5ºC at 760mmHg
Flash Point
166.9ºC
Density
1.046g/cm³
EC Number
301-209-2
Exact Mass
334.21400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Nonylphenyl hydrogen glutarate?

The molecular formula of Nonylphenyl hydrogen glutarate is C20H30O4.

What is the molecular weight of Nonylphenyl hydrogen glutarate?

The molecular weight of Nonylphenyl hydrogen glutarate is 334.4 g/mol.

What is the IUPAC name of Nonylphenyl hydrogen glutarate?

The IUPAC name of Nonylphenyl hydrogen glutarate is 5-(2-nonylphenoxy)-5-oxopentanoic acid.

What is the InChIKey of Nonylphenyl hydrogen glutarate?

The InChIKey of Nonylphenyl hydrogen glutarate is PQBJNSYXHMLIDE-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Nonylphenyl hydrogen glutarate have?

Nonylphenyl hydrogen glutarate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Nonylphenyl hydrogen glutarate have?

Nonylphenyl hydrogen glutarate has 4 hydrogen bond acceptor counts.

What is the XLogP3 value of Nonylphenyl hydrogen glutarate?

The XLogP3 value of Nonylphenyl hydrogen glutarate is 5.6.

What is the topological polar surface area of Nonylphenyl hydrogen glutarate?

The topological polar surface area of Nonylphenyl hydrogen glutarate is 63.6 Ų.

Does Nonylphenyl hydrogen glutarate have any defined atom stereocenter counts?

No, Nonylphenyl hydrogen glutarate does not have any defined atom stereocenter counts.

Is Nonylphenyl hydrogen glutarate a canonicalized compound?

Yes, Nonylphenyl hydrogen glutarate is a canonicalized compound.

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