3-(1-Pyrrolidinyl)benzoic Acid - CAS 72548-79-9

Catalog:	BB034649
Product Name:	3-(1-Pyrrolidinyl)benzoic Acid
CAS:	72548-79-9
Synonyms:	3-(1-pyrrolidinyl)benzoic acid; 3-pyrrolidin-1-ylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-pyrrolidin-1-ylbenzoic acid
Description:	3-(1-Pyrrolidinyl)benzoic Acid (CAS# 72548-79-9) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	C1CCN(C1)C2=CC=CC(=C2)C(=O)O
InChI:	InChI=1S/C11H13NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:	HRVWGEKZONYEMK-UHFFFAOYSA-N
MDL:	MFCD03426724
LogP:	2.05000

Publication Number	Title	Priority Date
TW-201922728-A	Novel heterocyclic compounds	20171010
US-2020299277-A1	Piperazine derivatives as magl inhibitors	20171010
EP-3319961-A1	N-hydroxyformamide compounds and compositions comprising them for use as bmp1, tll1 and/or tll2 inhibitors	20150709
JP-2018525353-A	N-hydroxyformamide compounds and compositions comprising them for use as inhibitors of BMP1, TLL1 and / or TLL2	20150709
TW-201716390-A	Compounds, compositions and methods	20150709

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1