CAS
90610-07-4 Purity
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90610-07-4 Purity
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Benzenepropanoic acid,4-(aminosulfonyl)-
CAS
90610-69-8
Catalog Number
ACM90610698
Category
Other Products
Molecular Weight
229.25
Molecular Formula
C9H11 N O4 S
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Specification
Synonyms
2nno, 2nn1, ZINC04362893, CID7210839, 90610-69-8
IUPAC Name
3-(4-sulfamoylphenyl)propanoate
InChI Key
JUEONDBIBADVGD-UHFFFAOYSA-M
Boiling Point
459ºC at 760 mmHg
Melting Point
164-166ºC
Flash Point
231.4ºC
Density
1.412 g/cm³
Exact Mass
229.04100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Benzenepropanoic acid,4-(aminosulfonyl)-?
The molecular formula of Benzenepropanoic acid,4-(aminosulfonyl)- is C9H11NO4S.
What is the molecular weight of Benzenepropanoic acid,4-(aminosulfonyl)-?
The molecular weight of Benzenepropanoic acid,4-(aminosulfonyl)- is 229.26 g/mol.
What are some synonyms for Benzenepropanoic acid,4-(aminosulfonyl)-?
Some synonyms for Benzenepropanoic acid,4-(aminosulfonyl)- are 3-(4-sulfamoylphenyl)propanoic acid, p-Aminosulfonyldihydrocinnamic acid, and 3-[4-(aminosulfonyl)phenyl]propanoic acid.
What is the InChIKey for Benzenepropanoic acid,4-(aminosulfonyl)-?
The InChIKey for Benzenepropanoic acid,4-(aminosulfonyl)- is JUEONDBIBADVGD-UHFFFAOYSA-N.
What is the Canonical SMILES for Benzenepropanoic acid,4-(aminosulfonyl)-?
The Canonical SMILES for Benzenepropanoic acid,4-(aminosulfonyl)- is C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)N.
What is the CAS number for Benzenepropanoic acid,4-(aminosulfonyl)-?
The CAS number for Benzenepropanoic acid,4-(aminosulfonyl)- is 90610-69-8.
How many hydrogen bond donor counts does Benzenepropanoic acid,4-(aminosulfonyl)- have?
Benzenepropanoic acid,4-(aminosulfonyl)- has 2 hydrogen bond donor counts.
What is the XLogP3 value for Benzenepropanoic acid,4-(aminosulfonyl)-?
The XLogP3 value for Benzenepropanoic acid,4-(aminosulfonyl)- is 0.1.
What is the topological polar surface area of Benzenepropanoic acid,4-(aminosulfonyl)-?
The topological polar surface area of Benzenepropanoic acid,4-(aminosulfonyl)- is 106Ų.
How many rotatable bond counts does Benzenepropanoic acid,4-(aminosulfonyl)- have?
Benzenepropanoic acid,4-(aminosulfonyl)- has 4 rotatable bond counts.
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