AG009IJW

13031-41-9 | 4-Cyanophenyl acetate

AG009IJW

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CAS Number	13031-41-9
Catalog Number	AG009IJW(AGN-PC-0JLUA4)
Chemical Name	4-Cyanophenyl acetate
EC Number	235-893-8
IUPAC Name	(4-cyanophenyl) acetate
InChI	InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChI Key	CJGXWABHYYJNJH-UHFFFAOYSA-N
MDL Number	MFCD00129158
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	C1(C#N)C=CC(OC(=O)C)=CC=1
UNII	EEL1PCP8AM
Synonyms	4-Cyanophenyl acetate, p-Cyanophenyl acetate, 13031-41-9, 4-Acetoxybenzonitrile, Benzonitrile, 4-(acetyloxy)-, UNII-EEL1PCP8AM, EEL1PCP8AM, MFCD00129158, (4-cyanophenyl) acetate, 4-(Acetyloxy)benzonitrile, EINECS 235-893-8, EC 235-893-8, AC1L34ME, AC1Q60YV, SCHEMBL337646, DTXSID8027741, CTK8D8554, CJGXWABHYYJNJH-UHFFFAOYSA-N, ZINC5438284, AKOS006241748, RP22403, AJ-54094, Benzonitrile, p-hydroxy-, acetate (ester), K-4049, W-109165, C9H7NO2, C9-H7-N-O2, CID83062, AR-1K9793, 73-39-2,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H315-H319-H335
Precuationary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Siginal words

Certificate of Analysis

Lot Number