AG00DC2Y

5264-35-7 | 5-Methoxy-3,4-dihydro-2H-pyrrole

AG00DC2Y

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CAS Number	5264-35-7
Catalog Number	AG00DC2Y(AGN-PC-0JQAW4)
Chemical Name	5-Methoxy-3,4-dihydro-2H-pyrrole
IUPAC Name	5-methoxy-3,4-dihydro-2H-pyrrole
InChI	InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3
InChI Key	QYGNDKJRRNVSEC-UHFFFAOYSA-N
MDL Number	MFCD01821272
Molecular Formula	C5H9NO
Molecular Weight	99.1311
NSC Number	601819
SMILES	COC1=NCCC1
Synonyms	5-methoxy-3,4-dihydro-2H-pyrrole, 5264-35-7, 2-Methoxy-1-pyrroline, O-methylbutyrolactim, 2H-Pyrrole, 3,4-dihydro-5-methoxy-, 2-methoxy-4,5-dihydro-3H-pyrrole, 3,4-dihydro-5-methoxy-2H-Pyrrole, NSC601819, AC1L72DM, AC1Q4FC5, ARONIS24199, c-C4H6N(2-OCH3), CTK4J6224, DTXSID90326564, QYGNDKJRRNVSEC-UHFFFAOYSA-N, ALBB-021703, KS-00000F6N, ZINC4268437, 7443AB, ANW-72188, MFCD01821272, SBB042854, STL299809, 2H-Pyrrole,3,4-dihydro-5-methoxy-, AKOS000269287, CS-W022401, MCULE-2625712954, NSC-601819, WT82119, AJ-49960, AK-49858, DB-071563, ST2406299, TR-018666, 4CH-017682, BB 0259273, FT-0645438, FT-0747173, R4924, EN300-22123, A829180, I11-916, F1905-7237, Z234855806, 470477-87-3, 2-methoxypyrroline, C5H9NO, CID353443, DS-2630,

Complexity	88.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	21.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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