AG006466

6836-22-2 | 2-(7-Methoxynaphthalen-1-yl)acetic acid

AG006466

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CAS Number	6836-22-2
Catalog Number	AG006466(AGN-PC-00N40I)
Chemical Name	2-(7-Methoxynaphthalen-1-yl)acetic acid
IUPAC Name	2-(7-methoxynaphthalen-1-yl)acetic acid
InChI	InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)
InChI Key	GJPYHKXILUFWKV-UHFFFAOYSA-N
MDL Number	MFCD12756806
Molecular Formula	C13H12O3
Molecular Weight	216.2326
SMILES	O=C(O)CC1=C2C=C(OC)C=CC2=CC=C1
Synonyms	6836-22-2, 2-(7-Methoxynaphthalen-1-yl)acetic acid, 7-Methoxy-1-naphthaleneacetic acid, (7-Methoxy-1-naphthyl)acetic acid, (7-methoxynaphth-1-yl)acetic acid, 1-Naphthaleneacetic acid, 7-methoxy-, 2-(7-Methoxy-1-naphthyl)acetic Acid, 2-(7-Methoxynaphthalen-1-yl)aceticacid, KSC352I9P, SCHEMBL3914252, 7-methoxynaphth-1-ylacetic acid, CTK2F2497, DTXSID10544066, 7-methoxy-1-naphthyl acetic acid, GJPYHKXILUFWKV-UHFFFAOYSA-N, 7-Methoxynaphthalene-1-acetic acid, BCP26975, KS-00000Q1Y, 1-Naphthaleneaceticacid, 7-methoxy-, ANW-44040, MFCD12756806, ZINC34091381, [7-methoxy(naphth-1-yl)]acetic acid, 2-(7-methoxynaphth-1-yl)acetic acid, AKOS015915486, CS-W003836, RL04614, WT81710, (7-Methoxy-naphthalen-1-yl)-acetic acid, AC-25894, AJ-86922, AK-94301, SY033441, TS-03084, AB0009948, AB1007379, DB-074015, RT-004030, 4CH-011796, A9110, FT-0656428, M2888, ST24021820, (7-METHOXYNAPHTHALEN-1-YL)ACETIC ACID, MFCD12756806 (98%), M-1998, 836M222, I14-6118, J-501706, 2- aceticacid, C13H12O3, ACN-051455,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.236g/mol
Monoisotopic Mass	216.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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