CAS
915920-21-7 Purity
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915920-21-7 Purity
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2-(3-methylpiperidin-1-yl)propanoic acid
CAS
915920-25-1
Catalog Number
ACM915920251
Category
Other Products
Molecular Weight
171.24
Molecular Formula
C9H17NO2
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Specification
Synonyms
Ambnee4023700, MolPort-003-766-151, ALBB-000135, STK500928, 2-(3-methylpiperidin-1-yl)propanoic acid, 915920-25-1
IUPAC Name
2-(3-methylpiperidin-1-yl)propanoic acid
Canonical SMILES
CC1CCCN(C1)C(C)C(=O)O
InChI Key
OCZRLJCNPUUQIX-UHFFFAOYSA-N
Boiling Point
267.8ºC at 760 mmHg
Flash Point
115.8ºC
Density
1.042g/cm³
Exact Mass
171.12600
H-Bond Acceptor
3
H-Bond Donor
1
What is the IUPAC name of the compound with PubChem CID 20985174?
The IUPAC name is 2-(3-methylpiperidin-1-yl)propanoic acid.
What is the molecular formula of the compound?
The molecular formula is C9H17NO2.
What is the molecular weight of the compound?
The molecular weight is 171.24 g/mol.
What is the InChIKey of the compound?
The InChIKey is OCZRLJCNPUUQIX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -0.7.
What is the topological polar surface area of the compound?
The topological polar surface area is 40.5 Å2.
How many undefined atom stereocenter counts does the compound have?
The compound has 2 undefined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of the compound?
The formal charge is 0.
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