CAS
939758-15-3 Purity
96%
939758-15-3 Purity
96%
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trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate
CAS
939758-21-1
Catalog Number
ACM939758211
Category
Other Products
Molecular Weight
235.278980 [g/mol]
Molecular Formula
C13H17NO3
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Specification
Synonyms
methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate, 939758-21-1, AGN-PC-00VA7R, Trans-methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate, AKOS015851561, A844766, 4-(3-methoxyphenyl)-3-pyrrolidinecarboxylic acid methyl ester, 4-(3-Methoxy-phenyl)-pyrrolidine-3-carboxylic acid methyl ester 1HCl salt
IUPAC Name
methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate
InChI Key
YFQZRSSPZDVWSK-UHFFFAOYSA-N
Boiling Point
345.2ºC at 760 mmHg
Flash Point
162.6ºC
Density
1.117g/cm³
Exact Mass
235.12100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate?
The molecular formula is C13H17NO3.
When was trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate created and modified in PubChem?
It was created on March 23, 2010, and modified on December 30, 2023.
What is the IUPAC name of trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name is methyl (3R,4S)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylate.
What is the InChIKey of trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is YFQZRSSPZDVWSK-NEPJUHHUSA-N.
How many hydrogen bond donor counts does trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate have?
It has 1 hydrogen bond donor count.
What is the exact mass of trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate?
The exact mass is 235.12084340 g/mol.
How many rotatable bond counts does trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate have?
It has 4 rotatable bond counts.
Is trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate a canonical compound?
Yes, it is a canonical compound according to PubChem.
What is the topological polar surface area of trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate?
The topological polar surface area is 47.6 ².
How many defined atom stereocenters does trans-Methyl 4-(3-methoxyphenyl)pyrrolidine-3-carboxylate have?
It has 2 defined atom stereocenters.
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