AG0038S7

36476-87-6 | 1-Benzhydrylazetidine-3-carboxylic acid

AG0038S7

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CAS Number	36476-87-6
Catalog Number	AG0038S7(AGN-PC-0KK73O)
Chemical Name	1-Benzhydrylazetidine-3-carboxylic acid
IUPAC Name	1-benzhydrylazetidine-3-carboxylic acid
InChI	InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
InChI Key	BRSCYENHLCPOAU-UHFFFAOYSA-N
MDL Number	MFCD01566539
Molecular Formula	C17H17NO2
Molecular Weight	267.3224
SMILES	C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)C(=O)O
Synonyms	1-benzhydrylazetidine-3-carboxylic acid, 36476-87-6, 1-(Diphenylmethyl)azetidine-3-carboxylic acid, 1-BENZHYDRYLAZETANE-3-CARBOXYLIC ACID, 1-benzhydryl-3-azetidinecarboxylic acid, MFCD01566539, 1-benzhydryl-azetidine-3-carboxylic acid, 1-diphenylmethylazetidine-3-carboxylic acid, Q-103138, 3-AZETIDINECARBOXYLIC ACID, 1-(DIPHENYLMETHYL)-, Maybridge3_004072, 1-Benzhydrylazetidine-3-carboxylicacid, PubChem10143, ACMC-1AGPN, AC1MC3BD, Oprea1_775777, SCHEMBL85386, KSC222E3P, Jsp006495, CTK1C2237, DTXSID30370723, BRSCYENHLCPOAU-UHFFFAOYSA-N, HMS1442J02, HT790, ZINC161643, 1-Diphenylmethyl-3-carboxyazetidine, ACN-S003052, ACT01811, BCP26309, CS-D0676, KS-000002XE, ZX-AT002064, ANW-28420, BBL010284, CB-496, SBB053427, SC2101, STK801537, 1-(diphenylmethyl)-3-carboxyazetidine, 1-benzhydrylazetidin-3-carboxylic acid, AKOS004115394, AC-2255, CCG-249961, CHM0016953, CM14235, MCULE-9753444222, MS-0076, OR01635, PB29150, RP06430, ACM36476876, IDI1_015459, 1-Benzhydryl-3 -azetidinecarboxylic acid, AJ-15782, AK-29228, AN-14171, BR-29228, SC-03858, SY018368, AB0044046, AB1005757, AX8016663, DB-011944, TC-065789, TL8002691, 1-BENZHYDRYL-3-AZETANECARBOXYLIC ACID, 4CH-009121, A2440, A6306, AM20040287, B3794, FT-0607363, ST24026990, ST51041826, MFCD01566539 (95%), 3-Azetidinecarboxylicacid, 1-(diphenylmethyl)-, B-1844, D67463, 476B876, SR-01000308213, 1-benzhydrylazetidine-3-carboxylic acid, AldrichCPR, SR-01000308213-1, 1-(DIPHENYLMETHYL)-3-AZETIDINECARBOXYLIC ACID, 36476-87-6 1-Benzhydryl-azetidine-3-carboxylic acid, null, Azetidine-3-carboxylic acid, C17H17NO2, 2-fluoro-4-(trifluoromethyl)pyridine, ACN-031744, CID2735440, R014, 1-Benzhydrylazetidine-3-carboxylic acid, 98% - 1G 1g, 118078-66-3, 82584-78-9,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.126g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	267.328g/mol
Monoisotopic Mass	267.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number