4-(Dimethylcarbamoyl)benzoic Acid - CAS 34231-49-7

Catalog:	BB022016
Product Name:	4-(Dimethylcarbamoyl)benzoic Acid
CAS:	34231-49-7
Synonyms:	4-[dimethylamino(oxo)methyl]benzoic acid; 4-(dimethylcarbamoyl)benzoic acid

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Computed Properties

IUPAC Name:	4-(dimethylcarbamoyl)benzoic acid
Description:	4-(Dimethylcarbamoyl)benzoic Acid (CAS# 34231-49-7) is a useful research chemical.
Molecular Weight:	193.20
Molecular Formula:	C10H11NO3
Canonical SMILES:	CN(C)C(=O)C1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C10H11NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14)
InChI Key:	LHIJETBHEKJGOK-UHFFFAOYSA-N
LogP:	1.08660

Publication Number	Title	Priority Date
JP-2020534308-A	Substituted dihydrothienopyrimidine and its use as a phosphodiesterase inhibitor	20170920
CN-110088108-A	Substituted pyrazolo azepine * -4- ketone and its purposes as phosphodiesterase inhibitors	20161212
EP-3551634-A1	Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors	20161212
JP-2020500920-A	Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors	20161212
WO-2018108231-A1	Substituted pyrazoloazepin-8-ones and their use as phosphodiesterase inhibitors	20161212

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GHS Hazard Statement:	H302 (100%): 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:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.07389321
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5