AG003DH6

154235-77-5 | Benzo[d]oxazole-6-carboxylic acid

AG003DH6

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CAS Number	154235-77-5
Catalog Number	AG003DH6(AGN-PC-03MQSN)
Chemical Name	Benzo[d]oxazole-6-carboxylic acid
IUPAC Name	1,3-benzoxazole-6-carboxylic acid
InChI	InChI=1S/C8H5NO3/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
InChI Key	FRNTUFQKHQMLSE-UHFFFAOYSA-N
MDL Number	MFCD09954949
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
SMILES	O=C(C1=CC=C2N=COC2=C1)O
Synonyms	benzo[d]oxazole-6-carboxylic acid, 154235-77-5, 1,3-benzoxazole-6-carboxylic acid, 6-Benzoxazolecarboxylic acid, Benzoxazole-6-carboxylic Acid, 6-Benzoxazolecarboxylicacid, benzo [d] oxazole-6-carboxylic acid, MFCD09954949, AC1Q73RX, SCHEMBL3492945, CTK0H0564, DTXSID60623810, FRNTUFQKHQMLSE-UHFFFAOYSA-N, 1,3-benzoxazol-6-carboxylic acid, CS-D0343, ANW-46531, ZINC26894720, AKOS006238817, CB-2604, MCULE-6197882218, RP02288, VO10075, TRA-0184642, AC-29656, AJ-82896, AK-72789, BC682079, BR-72789, SY018731, TS-02167, AB0022485, TR-006401, 4CH-002258, FT-0732873, ST24030126, W3359, EN300-66044, benzo[d]oxazole-6-carboxylic acid, AldrichCPR, F10002, M-9737, MFCD09954949 (97+%), A809514, W-205762, I14-32984, F2135-1160, Z1259161973, C8H5NO3,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.132g/mol
Monoisotopic Mass	163.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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