CAS
91133-33-4 Purity
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91133-33-4 Purity
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2-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid
CAS
91134-85-9
Catalog Number
ACM91134859
Category
Other Products
Molecular Weight
287.289
Molecular Formula
C11H13NO6S
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Specification
Synonyms
ZINC00230289, CID4130311, 91134-85-9
IUPAC Name
2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
Canonical SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O
InChI Key
IVYVLEQZZGWQTF-UHFFFAOYSA-M
Boiling Point
530.3ºC at 760mmHg
Flash Point
274.5ºC
Density
1.538g/cm³
Exact Mass
287.04600
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of the compound 2-Hydroxy-5-(morpholine-4-sulfonyl)-benzoic acid?
The molecular formula is C11H13NO6S.
What is the molecular weight of the compound?
The molecular weight is 287.29 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-hydroxy-5-morpholin-4-ylsulfonylbenzoic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C11H13NO6S/c13-10-2-1-8(7-9(10)11(14)15)19(16,17)12-3-5-18-6-4-12/h1-2,7,13H,3-6H2,(H,14,15).
What is the InChIKey of the compound?
The InChIKey is IVYVLEQZZGWQTF-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 287.04635831 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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