CAS
93129-53-4 Purity
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93129-53-4 Purity
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Benzene-d5-propanoic-d4acid (9CI)
CAS
93131-15-8
Catalog Number
ACM93131158
Category
Other Products
Molecular Weight
159.23
Molecular Formula
C9H D9 O2
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Specification
Synonyms
HYDROCINNAMIC-D9 ACID;3-Phenylpropionic-d9 acid;Hydrocinnamic acid-d9,OH
IUPAC Name
2,2,3,3-tetradeuterio-3-(2,3,4,5,6-pentadeuteriophenyl)propanoicacid
Canonical SMILES
C1=CC=C(C=C1)CCC(=O)O
InChI Key
XMIIGOLPHOKFCH-NVLGFDPUSA-N
Boiling Point
280ºC(lit.)
Melting Point
47-49ºC(lit.)
Flash Point
113ºC
Exact Mass
159.12500
Safety Description
22-24/25
What is the molecular formula of Benzene-d5-propanoic-d4acid (9CI)?
The molecular formula is C9H10O2.
What is the molecular weight of Benzene-d5-propanoic-d4acid (9CI)?
The molecular weight is 159.23 g/mol.
When was Benzene-d5-propanoic-d4acid (9CI) created in PubChem?
It was created on February 7, 2007.
What is the InChIKey of Benzene-d5-propanoic-d4acid (9CI)?
The InChIKey is XMIIGOLPHOKFCH-NVLGFDPUSA-N.
How many Hydrogen Bond Donor Count does Benzene-d5-propanoic-d4acid (9CI) have?
It has 1 Hydrogen Bond Donor Count.
What is the XLogP3 value of Benzene-d5-propanoic-d4acid (9CI)?
The XLogP3 value is 1.8.
How many Rotatable Bond Count does Benzene-d5-propanoic-d4acid (9CI) have?
It has 3 Rotatable Bond Count.
What is the Topological Polar Surface Area of Benzene-d5-propanoic-d4acid (9CI)?
The Topological Polar Surface Area is 37.3 Ų.
How many Isotope Atom Count does Benzene-d5-propanoic-d4acid (9CI) have?
It has 9 Isotope Atom Count.
Is the Compound Is Canonicalized for Benzene-d5-propanoic-d4acid (9CI)?
Yes, the Compound Is Canonicalized.
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