AG004RL9

875629-26-8 | 1-Methylazetidine-3-carboxylic acid

AG004RL9

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CAS Number	875629-26-8
Catalog Number	AG004RL9(AGN-PC-02X0B3)
Chemical Name	1-Methylazetidine-3-carboxylic acid
IUPAC Name	1-methylazetidine-3-carboxylic acid
InChI	InChI=1S/C5H9NO2/c1-6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key	OQTWISXQJKXTEM-UHFFFAOYSA-N
MDL Number	MFCD11520621
Molecular Formula	C5H9NO2
Molecular Weight	115.1305
SMILES	O=C(C1CN(C)C1)O
Synonyms	1-methylazetidine-3-carboxylic acid, 875629-26-8, 1-methyl-3-azetidinecarboxylic acid, 1-METHYL-AZETIDINE-3-CARBOXYLIC ACID, SCHEMBL689995, CTK5F8681, DTXSID00609274, OQTWISXQJKXTEM-UHFFFAOYSA-N, BCP08430, KS-000002XW, ANW-49037, BBL103218, MFCD11520621, STL557028, ZINC67176003, AKOS006324300, CS-W004004, PB25405, QC-3464, RP08544, AK-67585, BR-67585, DS-16684, SC-49053, AB0027177, AJ-116927, ST1010025, TX-010982, 4CH-009997, AM20110258, FT-0684718, W8982, C-8102, 1-methyl-3-azetidinecarboxylic acid, AldrichCPR, A842263, J-504990, C5H9NO2,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.132g/mol
Monoisotopic Mass	115.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number