CAS
927801-80-7 Purity
96%
927801-80-7 Purity
96%
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3-(4-Nitrophenyl)pyrrolidine
CAS
927802-85-5
Catalog Number
ACM927802855
Category
Other Products
Molecular Weight
192.214480 [g/mol]
Molecular Formula
C10H12N2O2
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Specification
Synonyms
3-(4-nitrophenyl)pyrrolidine, 927802-85-5, MolPort-022-915-073, AKOS006329856, AK157804, DB-079405
IUPAC Name
3-(4-nitrophenyl)pyrrolidine
SMILES
C1CNCC1C2=CC=C(C=C2)[N+](=O)[O-]
InChI Key
VVBJFYWZNMPFJD-UHFFFAOYSA-N
Boiling Point
335.9±35.0 °C (760 mmHg)
Density
1.195±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
192.09000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-(4-nitrophenyl)pyrrolidine?
The molecular formula is C10H12N2O2.
When was the structure of 3-(4-nitrophenyl)pyrrolidine created and modified?
The structure was created on 2007-12-05 and modified on 2023-12-30.
What is the IUPAC name of 3-(4-nitrophenyl)pyrrolidine?
The IUPAC name is 3-(4-nitrophenyl)pyrrolidine.
What is the InChIKey of 3-(4-nitrophenyl)pyrrolidine?
The InChIKey is VVBJFYWZNMPFJD-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 3-(4-nitrophenyl)pyrrolidine?
The Canonical SMILES representation is C1CNCC1C2=CC=C(C=C2)[N+](=O)[O-].
What is the molecular weight of 3-(4-nitrophenyl)pyrrolidine?
The molecular weight is 192.21 g/mol.
How many hydrogen bond donor counts does 3-(4-nitrophenyl)pyrrolidine have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 3-(4-nitrophenyl)pyrrolidine?
The topological polar surface area is 57.8 Å^2.
How many hydrogen bond acceptor counts does 3-(4-nitrophenyl)pyrrolidine have?
It has 3 hydrogen bond acceptor counts.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
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