CAS
94006-34-5 Purity
96%
94006-34-5 Purity
96%
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1-Hydroxy-4-[2-[(2-methoxyethyl)amino]-2-oxoethoxy]-2-naphthoic acid
CAS
94006-38-9
Catalog Number
ACM94006389
Category
Other Products
Molecular Weight
319.309280 [g/mol]
Molecular Formula
C16H17NO6
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Specification
Synonyms
EINECS 301-375-6, CID3023257, 1-Hydroxy-4-(2-((2-methoxyethyl)amino)-2-oxoethoxy)-2-naphthoic acid, 94006-38-9
IUPAC Name
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
Canonical SMILES
COCCNC(=O)COC1=CC(=C(C2=CC=CC=C21)O)C(=O)O
InChI Key
KQOISVWHDJYHLJ-UHFFFAOYSA-N
Boiling Point
613.5ºC at 760mmHg
Flash Point
324.8ºC
Density
1.348g/cm³
EC Number
301-375-6
Exact Mass
319.10600
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 3023257?
The molecular formula is C16H17NO6.
What is the molecular weight of the compound?
The molecular weight is 319.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid.
What is the InChIKey of the compound?
The InChIKey is KQOISVWHDJYHLJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 319.10558726 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 105?2.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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