AG00EL7L

57612-86-9 | 2-(Isoxazol-3-yl)acetic acid

AG00EL7L

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	57612-86-9
Catalog Number	AG00EL7L(AGN-PC-00KLCL)
Chemical Name	2-(Isoxazol-3-yl)acetic acid
IUPAC Name	2-(1,2-oxazol-3-yl)acetic acid
InChI	InChI=1S/C5H5NO3/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)
InChI Key	QSMYAUJWSXKKDS-UHFFFAOYSA-N
MDL Number	MFCD10700200
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
SMILES	O=C(O)CC1=NOC=C1
Synonyms	2-(Isoxazol-3-yl)acetic acid, 57612-86-9, 2-(1,2-oxazol-3-yl)acetic acid, 3-Isoxazoleacetic acid, ISOXAZOL-3-YL-ACETIC ACID, isoxazoleacetic acid, (isoxazol-3-yl)acetic acid, 2-(3-Isoxazolyl)acetic Acid, SCHEMBL1331254, 3-isoxazoleacetic acid, AldrichCPR, 9989AH, MFCD10700200, ZINC20417419, AKOS006238808, MCULE-9033104587, AJ-77420, AS-55129, ST24039668, EN300-82037, Z-6152, Z1250132365, C5H5NO3,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.099g/mol
Monoisotopic Mass	127.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number