CAS
911426-09-0 Purity
96%
911426-09-0 Purity
96%
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Butanedioic acid,2-(2-methylphenyl)-
CAS
91143-76-9
Catalog Number
ACM91143769
Category
Other Products
Molecular Weight
208.2106
Molecular Formula
C11H12O4
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Specification
Synonyms
NSC151704, CID289531, 91143-76-9
IUPAC Name
2-(2-methylphenyl)butanedioic acid
Canonical SMILES
CC1=CC=CC=C1C(CC(=O)O)C(=O)O
InChI Key
OXRKFXXTOLGIMG-UHFFFAOYSA-N
Boiling Point
327.4ºC at 760 mmHg
Flash Point
166ºC
Density
1.288 g/cm³
Exact Mass
208.07400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2-(2-methylphenyl)butanedioic acid?
The molecular formula is C11H12O4.
When was the PubChem CID for 2-(2-methylphenyl)butanedioic acid created?
The PubChem CID was created on 2005-03-26.
What is the IUPAC name of 2-(2-methylphenyl)butanedioic acid?
The IUPAC name is 2-(2-methylphenyl)butanedioic acid.
What is the InChIKey of 2-(2-methylphenyl)butanedioic acid?
The InChIKey is OXRKFXXTOLGIMG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-(2-methylphenyl)butanedioic acid have?
It has 2 hydrogen bond donor counts.
What is the exact mass of 2-(2-methylphenyl)butanedioic acid?
The exact mass is 208.07355886 g/mol.
What is the topological polar surface area of 2-(2-methylphenyl)butanedioic acid?
The topological polar surface area is 74.6 Ų.
How many heavy atoms does 2-(2-methylphenyl)butanedioic acid contain?
It contains 15 heavy atoms.
Does 2-(2-methylphenyl)butanedioic acid have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is 2-(2-methylphenyl)butanedioic acid's compound canonicalized?
Yes, it is canonicalized according to PubChem.
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