AG005P53

77186-95-9 | Benzo[d]oxazol-2-ylmethanol

AG005P53

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CAS Number	77186-95-9
Catalog Number	AG005P53(AGN-PC-03HJ5D)
Chemical Name	Benzo[d]oxazol-2-ylmethanol
IUPAC Name	1,3-benzoxazol-2-ylmethanol
InChI	InChI=1S/C8H7NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2
InChI Key	MFAYHDNWECITJF-UHFFFAOYSA-N
MDL Number	MFCD07368333
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	O1C2=C(N=C1CO)C=CC=C2
Synonyms	Benzo[d]oxazol-2-ylmethanol, 77186-95-9, 1,3-benzoxazol-2-ylmethanol, 2-Benzoxazolemethanol, (1,3-Benzoxazol-2-yl)methanol, BENZOOXAZOL-2-YL-METHANOL, AC1Q7C53, SCHEMBL2125047, CTK5E4000, KS-00000OCO, DTXSID80619871, ANW-50566, MFCD07368333, ZINC35323053, AKOS009590103, MCULE-2542633343, RP21266, AJ-91279, AK-31640, BR-31640, CJ-18738, DS-11440, AB0026663, DB-075259, ST2412656, TR-037765, 4CH-010053, FT-0727763, W8382, EN300-69111, A21636, S-5242, J-519729, Z1331054616, C8H7NO2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.149g/mol
Monoisotopic Mass	149.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number