AG01FNMW

6296-41-9 | 3-(4-aminophenyl)-2-oxopropanoic acid hydrochloride

AG01FNMW

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CAS Number	6296-41-9
Catalog Number	AG01FNMW(AGN-PC-0T6NS1)
Chemical Name	3-(4-aminophenyl)-2-oxopropanoic acid hydrochloride
IUPAC Name	3-(4-aminophenyl)-2-oxopropanoic acid;hydrochloride
InChI	InChI=1S/C9H9NO3.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4H,5,10H2,(H,12,13);1H
InChI Key	RVHSKFOBSJSYEH-UHFFFAOYSA-N
MDL Number	MFCD30541535
Molecular Formula	C9H10ClNO3
Molecular Weight	215.6336
NSC Number	47537
SMILES	Cl.NC1=CC=C(C=C1)CC(C(=O)O)=O
Synonyms	3-(4-aminophenyl)-2-oxopropanoic acid hydrochloride, 6296-41-9, NSC47537, NSC-47537, AKOS030528594, AK550874,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	215.633g/mol
Monoisotopic Mass	215.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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