AG00C8EZ

4113-97-7 | (2,4-Dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-acetic acid

AG00C8EZ

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CAS Number	4113-97-7
Catalog Number	AG00C8EZ(AGN-PC-0JNT0E)
Chemical Name	(2,4-Dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-acetic acid
IUPAC Name	2-(2,4-dioxopyrimidin-1-yl)acetic acid
InChI	InChI=1S/C6H6N2O4/c9-4-1-2-8(3-5(10)11)6(12)7-4/h1-2H,3H2,(H,10,11)(H,7,9,12)
InChI Key	ZFNQFXDDQAEAFI-UHFFFAOYSA-N
MDL Number	MFCD00458007
Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
NSC Number	81466
SMILES	O=C(O)CN(C(N1)=O)C=CC1=O
Synonyms	4113-97-7, (2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid, (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid, 1(2h)-pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-, 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid, 2-(2,4-dioxopyrimidin-1-yl)acetic acid, 1(2H)-Pyrimidineaceticacid, 3,4-dihydro-2,4-dioxo-, (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetic acid, 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid, 2-(2,4-dioxo-1,3-dihydropyrimidinyl)acetic acid, NSC81466, uracil-1-acetic acid, AC1Q5WKO, (Uracil-1-yl)acetic acid, AC1Q75UH, AC1L5T29, SCHEMBL2899640, CTK1D6221, ZFNQFXDDQAEAFI-UHFFFAOYSA-N, HMS1692B15, ZINC518398, ALBB-005404, 2878AE, BBL001795, CCG-40463, MFCD00458007, NSC-81466, SBB047784, STK325161, AKOS000301102, MCULE-4972491859, AJ-23284, BAS 00928797, BS-13579, AB0220402, DB-016284, BB 0237711, FT-0769263, ST50243442, EN300-13287, W-7005, (2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)acetic acid, F2158-1780, (2,4-Dioxo-3,4-dihydro-2 H -pyrimidin-1-yl)-acetic acid, (2,4-dioxo-3,4-dihydro-2 h-pyrimidin-1-yl)-acetic acid, (2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-ac etic acid, (2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid, AldrichCPR, C6H6N2O4, KST-1B4117, AR-1B0865, CID255733, 41348-55-4,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.033g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.124g/mol
Monoisotopic Mass	170.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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