AG00C6UE

340131-70-6 | 2-HYDROXY-3-TERT-BUTYL BENZONITRILE

AG00C6UE

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	340131-70-6
Catalog Number	AG00C6UE(AGN-PC-0O93KI)
Chemical Name	2-HYDROXY-3-TERT-BUTYL BENZONITRILE
IUPAC Name	3-tert-butyl-2-hydroxybenzonitrile
InChI	InChI=1S/C11H13NO/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-6,13H,1-3H3
InChI Key	ZKBIUKNNKXWRNQ-UHFFFAOYSA-N
MDL Number	MFCD16999197
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	N#CC1=CC=CC(C(C)(C)C)=C1O
Synonyms	3-(tert-Butyl)-2-hydroxybenzonitrile, 340131-70-6, 2-hydroxy-3-tert-butyl benzonitrile, AK158369, 3-TERT-BUTYL-2-HYDROXYBENZONITRILE, KS-00000SGL, 2-Hydroxy-3-t-butyl benzonitrile, 2-Hydroxy-3-tert-butylbenzonitrile, MFCD16999197, ZINC95713733, AKOS024262449, DS-9344, FCH1188880, MB26603, AJ-133704, AX8269197, ST24041676,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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