CAS
915921-80-1 Purity
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915921-80-1 Purity
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2-(2-Methylpiperidin-1-yl)propanoic acid
CAS
915921-83-4
Catalog Number
ACM915921834
Category
Other Products
Molecular Weight
171.236780 [g/mol]
Molecular Formula
C9H17NO2
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Specification
Synonyms
2-(2-Methylpiperidin-1-yl)propanoic acid, 915921-83-4, Ambcb4023698, CTK5H0004, MolPort-003-772-922, AKOS009234069, AG-H-76027, 2-(2-Methyl-piperidin-1-yl)-propionic acid
IUPAC Name
2-(2-methylpiperidin-1-yl)propanoic acid
Canonical SMILES
CC1CCCCN1C(C)C(=O)O
InChI Key
XTWLLIPDGZRPDD-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 molecular formula of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The molecular formula is C9H17NO2.
When was 2-(2-Methylpiperidin-1-yl)propanoic acid created?
It was created on 2007-12-05.
What is the molecular weight of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The molecular weight is 171.24 g/mol.
What is the InChI of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The InChI is InChI=1S/C9H17NO2/c1-7-5-3-4-6-10(7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What is the InChIKey of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The InChIKey is XTWLLIPDGZRPDD-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The Canonical SMILES is CC1CCCCN1C(C)C(=O)O.
How many hydrogen bond donor counts does 2-(2-Methylpiperidin-1-yl)propanoic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-(2-Methylpiperidin-1-yl)propanoic acid?
The topological polar surface area is 40.5 Å2.
Is 2-(2-Methylpiperidin-1-yl)propanoic acid canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does 2-(2-Methylpiperidin-1-yl)propanoic acid have?
It has 2 rotatable bond counts.
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