AG0028N3

20303-31-5 | 1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester

AG0028N3

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CAS Number	20303-31-5
Catalog Number	AG0028N3(AGN-PC-0JUH6W)
Chemical Name	1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester
IUPAC Name	benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3
InChI Key	KCXNIAMRWFWMOX-UHFFFAOYSA-N
MDL Number	MFCD00010681
Molecular Formula	C18H21NO4
Molecular Weight	315.3636
SMILES	COC(CCC=1C(=C(NC1C)C(=O)OCC1=CC=CC=C1)C)=O
Synonyms	20303-31-5, benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate, MLS000071468, 4-(2-Methoxycarbonyl-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester, SMR000037041, AC1LCWJJ, UPCMLD-DP155, Oprea1_855982, SCHEMBL59661, cid_657433, CHEMBL1332023, UPCMLD-DP155:001, BDBM44579, CTK4E3852, ZINC56663, DTXSID00349683, KCXNIAMRWFWMOX-UHFFFAOYSA-N, HMS2164O18, HMS3307B20, ACT01691, KS-00000GM1, ANW-46217, MFCD00010681, STK831576, AKOS000506562, MCULE-8065317090, NCGC00018532-01, NCGC00018532-02, NCGC00018532-03, NCGC00022790-02, AJ-09355, AK-86495, AS-54489, BAS 00338051, CC-16308, ZB001766, AX8139089, DB-045169, TC-134962, FT-0637976, ST24030147, ST50223991, W4283, C-19440, J-013201, I01-18873, 2-Benzyloxycarbonyl-3,5-dimethyl-4-(2-methoxycarbonylethyl)pyrrole, methyl 3-{2,4-dimethyl-5-[benzyloxycarbonyl]pyrrol-3-yl}propanoate, Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate, 97%, (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester, 1H-Pyrrole-3-propanoic acid,2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester, 2,4-Dimethyl-5-(benzyloxycarbonyl)-1H-pyrrole-3-propionic acid methyl ester, 4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester, 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester, C18H21NO4, CID657433,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.147g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	315.369g/mol
Monoisotopic Mass	315.147g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	68.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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