CAS
939760-89-1 Purity
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939760-89-1 Purity
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4-Isopropylamino-tetrahydro-pyran-4-carboxylic acid hydrochloride
CAS
939761-15-6
Catalog Number
ACM939761156
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H18ClNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 223.70 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(propan-2-ylamino)oxane-4-carboxylic acid;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H17NO3.ClH/c1-7(2)10-9(8(11)12)3-5-13-6-4-9;/h7,10H,3-6H2,1-2H3,(H,11,12);1H.
What is the InChIKey of the compound?
The InChIKey of the compound is BWROXYXCOJDAGX-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)NC1(CCOCC1)C(=O)O.Cl.
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 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound considered as a canonicalized compound?
Yes, the compound is considered as a canonicalized compound.
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