AG00180S

138113-08-3 | 1-Naphthaleneacetonitrile, 7-methoxy-

AG00180S

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CAS Number	138113-08-3
Catalog Number	AG00180S(AGN-PC-005K78)
Chemical Name	1-Naphthaleneacetonitrile, 7-methoxy-
EC Number	461-670-1
IUPAC Name	2-(7-methoxynaphthalen-1-yl)acetonitrile
InChI	InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChI Key	PYJMGUQHJINLLD-UHFFFAOYSA-N
MDL Number	MFCD08704309
Molecular Formula	C13H11NO
Molecular Weight	197.2325
SMILES	N#CCC1=C2C=C(OC)C=CC2=CC=C1
Synonyms	7-Methoxy-1-naphthylacetonitrile, 138113-08-3, (7-Methoxy-1-naphthyl)acetonitrile, 2-(7-methoxynaphthalen-1-yl)acetonitrile, 2-(7-Methoxy-1-naphthyl)acetonitrile, 1-Naphthaleneacetonitrile, 7-methoxy-, 7-methoxy-1-naphthaleneacetonitrile, 7-Methoxynaphthalene-1-acetonitrile, AK-32305, Q-102532, (7-methoxynaphthalen-1-yl)acetonitrile, ACMC-1BW7X, KSC169Q5R, SCHEMBL989652, CTK0G9858, KS-00000HYS, DTXSID90460472, 7-Methoxy-1-naphthylmethylcyanide, PYJMGUQHJINLLD-UHFFFAOYSA-N, 1-Cyanomethyl-7-methoxynaphthalene, 7-Methoxy-1-Naphthyl Acetonitrile, (7-Methoxynaphth-1-yl)acetonitrile, 7-Methoxy-1-naphthaleneacetinitrile, ACT03493, BCP07368, ZX-RL000424, (7-Methoxy-naphth-1-yl)acetonitrile, ANW-46888, CM0079, MFCD08704309, ZINC22062327, AKOS006288808, LS41041, RP25535, RTC-071158, (7-Methoxy-naphthalen-1-yl)acetonitrile, AC-24009, AJ-80908, AN-31814, CJ-17308, OR301127, SY033192, TS-02792, AB0005092, AX8162309, DB-001012, TC-071158, 4CH-008805, AM20090762, FT-0651955, M2421, ST24029952, MFCD08704309 (97%), A25610, EN300-117143, M-2290, 113M083, I14-6110, 1-Cyanomethyl-7-methoxynaphthalene;2-(7-Methoxy-1-naphthyl)acetonitrile;7-Methoxy-1-naphthaleneacetinitrile, C13H11NO, ACN-032367, CID11264068, EC 461-670-1,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.084g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.237g/mol
Monoisotopic Mass	197.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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