3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid - CAS 202197-73-7

Name: 3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB050190
Product Name:	3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid
CAS:	202197-73-7
Synonyms:	3,4-Dihydro-4-oxoquinazoline-7-carboxylic acid; 4-oxo-1H-quinazoline-7-carboxylic acid; 4-Oxo-3,4-dihydroquinazoline-7-carboxylic acid; 7-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-

Technical Data

IUPAC Name:	4-oxo-3H-quinazoline-7-carboxylic acid
Description:	3,4-Dehydro-4-oxo-7-quinzolinecarboxylic acid (CAS# 202197-73-7 ) is a useful research chemical.
Molecular Weight:	190.16
Molecular Formula:	C9H6N2O3
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)N=CNC2=O
InChI:	InChI=1S/C9H6N2O3/c12-8-6-2-1-5(9(13)14)3-7(6)10-4-11-8/h1-4H,(H,13,14)(H,10,11,12)
InChI Key:	ICASWNVSUDFGRH-UHFFFAOYSA-N
Boiling Point:	449.2±47.0 °C (Predicted)
Melting Point:	>300 °C
Purity:	≥ 95 %
Density:	1.56±0.1 g/cm³ (Predicted)

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.03784206
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2