AG003I17

51557-26-7 | 3-(Naphthalen-2-yl)acrylic acid

AG003I17

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CAS Number	51557-26-7
Catalog Number	AG003I17(AGN-PC-0JTPFW)
Chemical Name	3-(Naphthalen-2-yl)acrylic acid
IUPAC Name	(E)-3-naphthalen-2-ylprop-2-enoic acid
InChI	InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+
InChI Key	KWGPBDBAAXYWOJ-SOFGYWHQSA-N
MDL Number	MFCD00209666
Molecular Formula	C13H10O2
Molecular Weight	198.2173
SMILES	OC(=O)C=CC1=CC2=C(C=CC=C2)C=C1
Synonyms	3-(2-Naphthyl)Acrylic Acid, 51557-26-7, 3-naphthalen-2-yl-acrylic acid, (E)-3-(naphthalen-2-yl)acrylic acid, 49711-14-0, KWGPBDBAAXYWOJ-SOFGYWHQSA-N, 3-(naphthalen-2-yl)prop-2-enoic acid, (2e)-3-(2-naphthyl)acrylic acid, (2E)-3-(2-naphthyl)prop-2-enoic acid, MFCD00209666, PubChem9465, AC1LEGRN, 2-Naphthaleneacrylic acid, AC1Q5RB6, SCHEMBL78426, AB-131/40897182, 3-(naphth-2-yl)acrylic acid, CHEMBL1891545, Propenoic acid,3-(2-naphtyl)-, ZINC153595, (E)-3-(2-Naphthyl)acrylic acid, ZX-AT018268, CN-509, OR5352, SBB061974, (E)-3-naphthalen-2-yl-acrylic acid, 2-Propenoic acid, 3-(2-naphtyl)-, AKOS000140514, NE40573, trans-3-(naphth-2-yl)-propenoic acid, (E)-3-(2-naphthyl)prop-2-enoic acid, 2-Propenoic acid, 3-(2-naphthalenyl)-, NCGC00186311-01, NCGC00186311-02, NCGC00186311-03, (E)-3-naphthalen-2-ylprop-2-enoic acid, AC-18959, AJ-13037, CC-11593, L361, MS-11477, SC-46711, (E)-3-(napthalen-2-yl)-2-propenoic acid, AX8014535, RT-003987, TL8003411, (2E)-3-(2-Naphthyl)-2-propenoic acid #, ST50411866, (2E)-3-(naphthalen-2-yl)prop-2-enoic acid, EN300-138574, 557N267, I04-0061, F3395-0158, 2-Naphthylacrylic acid, 2-Naphthylacrylicacid, 3-(Naphthalen-2-yl)acrylic acid, KST-1A5247, C13H10O2, AR-1A2300, CID735835, 51865-77-1,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	198.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.221g/mol
Monoisotopic Mass	198.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

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