AG003NG2

861960-34-1 | 2-(7-Methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

AG003NG2

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CAS Number	861960-34-1
Catalog Number	AG003NG2(AGN-PC-0V2VTH)
Chemical Name	2-(7-Methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile
EC Number	617-813-7
IUPAC Name	2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile
InChI	InChI=1S/C13H13NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,9H,2-3,7H2,1H3
InChI Key	MGJHVZKRAOYORH-UHFFFAOYSA-N
MDL Number	MFCD03095432
Molecular Formula	C13H13NO
Molecular Weight	199.2484
SMILES	COC1=CC2=C(CCC=C2CC#N)C=C1
Synonyms	861960-34-1, 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile, 7-methoxy-3,4-dihydro-1-naphthalenylacetonitrile, 7-METHOXY-3,4-DIHYDRO-1-NAPHTHALENYL-ACETONITRILE, (7-Methoxy-3,4-dihydro-1-naphthalenyl)acetonitrile, 7-METHOXY-3,4DIHYDRO-1-NAPHTHALENYLACCETONITRILE, ACMC-20acnj, (7-Methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile, SCHEMBL2285874, CTK8C1828, DTXSID00461218, MGJHVZKRAOYORH-UHFFFAOYSA-N, ANW-67325, EBD209675, MFCD09840884, ZINC22062264, AKOS006326876, RL05325, AJ-80904, AK-89105, RT-010836, FT-0660399, ST24039522, Z6179, (7-Methoxy-3,4-dihydro-1-naphthyl)acetonitrile, 3,4-Dihydro-7-methoxy-1-naphthaleneacetonitrile, J-519288, (7-methoxy-3,4-dihydro-1-naphthalenyl)-acetonitrile, I14-15958, C13H13NO, ACN-032366, CID11287102, 1-Naphthaleneacetonitrile, 3,4-dihydro-7-methoxy-,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.253g/mol
Monoisotopic Mass	199.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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