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

Name: 3-(1-Pyrrolidinyl)benzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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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

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

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