AG00BZ8T

335030-80-3 | (2E)-3-(2-aminopyrimidin-5-yl)acrylic acid

AG00BZ8T

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CAS Number	335030-80-3
Catalog Number	AG00BZ8T(AGN-PC-0O91EU)
Chemical Name	(2E)-3-(2-aminopyrimidin-5-yl)acrylic acid
IUPAC Name	(E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid
InChI	InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+
InChI Key	ZSTSKJFUYGWSPO-OWOJBTEDSA-N
MDL Number	MFCD08059846
Molecular Formula	C7H7N3O2
Molecular Weight	165.1494
SMILES	NC1=NC=C(C=N1)/C=C/C(=O)O
Synonyms	335030-80-3, (2E)-3-(2-AMINOPYRIMIDIN-5-YL)ACRYLIC ACID, (2E)-3-(2-Aminopyrimidin-5-yl)prop-2-enoic acid, SCHEMBL1093070, SCHEMBL1093071, DTXSID00451634, ZX-CM003776, FCH830914, MFCD08059846, ZINC14608604, AKOS000283944, AKOS025149675, FCH3742289, QC-5555, ACM335030803, AJ-65009, DB-068837, (2E)-3-(2-Amino-5-pyrimidinyl)acrylic acid, Y-3420, 030A803, 4011776-25G, 4011776-50G, (2E)-3-(2-Aminopyrimidin-5-yl)acrylic acid, AldrichCPR, CID11008273, (E)-3-(2-aminopyrimidin-5-yl)acrylic acid, (E)-3-(2-Amino-Pyridine-5yl)-Acrylic Acid, (E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic Acid,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	165.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.152g/mol
Monoisotopic Mass	165.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	89.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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