CAS
916766-91-1 Purity
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916766-91-1 Purity
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Benzoicacid,3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS
916766-99-9
Catalog Number
ACM916766999
Category
Other Products
Molecular Weight
237.20874
Molecular Formula
C11H11NO5
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Specification
Synonyms
3-{[(allyloxy)carbonyl]amino}-5-hydroxybenzoic acid
IUPAC Name
3-hydroxy-5-(prop-2-enoxycarbonylamino)benzoic acid
SMILES
C=CCOC(=O)NC1=CC(=CC(=C1)C(=O)O)O
InChI Key
MYOCYAGTJQROGX-UHFFFAOYSA-N
Boiling Point
398.9ºC at 760 mmHg
Melting Point
194.5ºC
Flash Point
195ºC
Density
1.412g/cm³
Exact Mass
237.06400
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]benzoic acid?
-The molecular formula is C11H11NO5.
When was the structure of 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]benzoic acid first created?
-The structure was first created on February 29, 2008.
What is the molecular weight of 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]benzoic acid?
-The molecular weight is 237.21 g/mol.
What is the IUPAC name of the compound?
-The IUPAC name is 3-hydroxy-5-(prop-2-enoxycarbonylamino)benzoic acid.
What is the InChIKey of 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]benzoic acid?
-The InChIKey is MYOCYAGTJQROGX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
-The compound has 3 hydrogen bond donor counts.
What is the exact mass of 3-hydroxy-5-[[(2-propen-1-yloxy)carbonyl]amino]benzoic acid?
-The exact mass is 237.06372245 g/mol.
What is the topological polar surface area of the compound?
-The topological polar surface area is 95.9 Å2.
How many rotatable bond counts does the compound have?
-The compound has 5 rotatable bond counts.
Is the compound canonicalized?
-Yes, the compound is canonicalized.
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