AG00084K

102691-93-0 | (S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid

AG00084K

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CAS Number	102691-93-0
Catalog Number	AG00084K(AGN-PC-0ORS9H)
Chemical Name	(S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid
IUPAC Name	(2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid
InChI	InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1
InChI Key	YVWMPILNFZOQSZ-AWEZNQCLSA-N
MDL Number	MFCD03093634
Molecular Formula	C14H14O3
Molecular Weight	230.2592
SMILES	CO[C@](C)(C(O)=O)C1=C2C=CC=CC2=CC=C1
UNII	68SLX52TK8
Synonyms	102691-93-0, (S)-2-Methoxy-2-(naphthalen-1-yl)propanoic acid, (S)-(+)-2-Methoxy-2-(1-naphthyl)propionic Acid, (s)-2-methoxy-2-(1-naphthyl)propionic acid, UNII-68SLX52TK8, 68SLX52TK8, (S)-(+)-alpha-Methoxy-alpha-methyl-1-naphthaleneacetic Acid, (S)-(-)-2-Methoxy-2-(1-naphthyl)propionic acid, (2S)-2-Methoxy-2-(naphthalen-1-yl)propanoic acid, (S)-2-METHOXY-2-NAPHTHALEN-1-YL-PROPIONIC ACID, alphaMnp (+)-(S)-form [MI], 2-Methoxy-2-(1-naphthyl)propionic acid, (+)-, S-(+)-2-Methoxy-2-(1-naphthyl)propanoic acid, SCHEMBL12940368, CTK3J8186, DTXSID40431475, 1-Naphthaleneacetic acid, alpha-methoxy-alpha-methyl- (alphaS)-, KS-00000CZ8, ZINC2506662, 0654AA, ANW-14731, MFCD03093634, AKOS015850958, RTR-000646, AJ-36134, CS-11927, AX8238385, DB-023453, TR-000646, (S)-2-Methoxy-2-(1-naphthyl)propionicAcid, FT-0770762, M1367, (S)-2-(1-Naphthyl)-2-methoxypropanoic acid, Z-6571, I14-63208, UNII-116NC5P8V4 component YVWMPILNFZOQSZ-AWEZNQCLSA-N, C14H14O3, CID9834528, 2-methoxy-2-naphthalen-1-yl-propanoic Acid, (S)-2-Methoxy-2-(naphthalen-1-yl)propanoicacid,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	230.094g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.263g/mol
Monoisotopic Mass	230.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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