AG003JNB

1527-89-5 | 3-Methoxybenzonitrile

AG003JNB

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CAS Number	1527-89-5
Catalog Number	AG003JNB(AGN-PC-0H0SKH)
Chemical Name	3-Methoxybenzonitrile
EC Number	216-201-3
IUPAC Name	3-methoxybenzonitrile
InChI	InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChI Key	KLXSUMLEPNAZFK-UHFFFAOYSA-N
MDL Number	MFCD00001801
Molecular Formula	C8H7NO
Molecular Weight	133.1473
NSC Number	225049
SMILES	N#CC1=CC=CC(OC)=C1
Synonyms	3-methoxybenzonitrile, 3-methoxybenzonitrile hydride, 3-methoxybenzonitrile, cyano-(14)C-labeled, 3-methoxybenzonitrile, radical ion(1-), m-methoxybenzonitrile, meta-methoxybenzonitrile, 3-METHOXYBENZONITRILE, 1527-89-5, m-Cyanoanisole, m-Anisonitrile, Benzonitrile, 3-methoxy-, m-Methoxybenzonitrile, 3-Cyanoanisole, Benzonitrile, m-methoxy-, 3-methoxy-benzonitrile, 3-anisonitrile, 3-methoxy benzonitrile, m-Methoxybenzontrile, KLXSUMLEPNAZFK-UHFFFAOYSA-N, MFCD00001801, 3-methoxybenzenecarbonitrile, 3-cyano-anisole, EINECS 216-201-3, 5-methoxybenzonitrile, NSC 225049, PubChem4813, m-Anisonitrile (8CI), ACMC-1BODZ, AC1L2KCJ, akos b004087, AC1Q47QT, AC1Q4RC1, 3-Methoxybenzonitrile, 98%, KSC177Q9B, SCHEMBL103841, DTXSID4074695, CTK0H7890, KS-00000KCS, Benzonitrile, 3-methoxy- (9CI), HMS1725P03, ZINC406938, ACT07982, CS-M0746, STR02155, ANW-21406, NSC225049, SBB055059, STL354589, AKOS000198127, AB00159, AM86650, MCULE-8516797425, NSC-225049, PS-5266, RP20049, RP20054, RTR-033283, TRA0084775, AC-24362, AJ-22526, AK-88694, AN-49384, BC210472, CJ-04093, Q024, SC-01308, ZB013697, AB0017350, ST2417772, TL8001133, TR-033283, FT-0615990, M1291, ST50949431, EN300-16193, A21196, K-4839, 40221-EP2272813A2, 40221-EP2311830A1, I01-1326, J-512785, InChI=1/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H, M-Methoxybenzonitrile;Benzonitrile, 3-methoxy-;Benzonitrile, m-methoxy-, C8H7NO, C8-H7-N-O, CID73712, AR-1J3903, 3-Methoxybenzonitrile, 99% - 25ML 25ml, 15539-42-1,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number