AG00E98P

583-06-2 | 3-Benzoylacrylic acid

AG00E98P

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COA

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WARNING This product is not for human or veterinary use.

CAS Number	583-06-2
Catalog Number	AG00E98P(AGN-PC-007X06)
Chemical Name	3-Benzoylacrylic acid
IUPAC Name	(E)-4-oxo-4-phenylbut-2-enoic acid
InChI	InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+
InChI Key	PLPDHGOODMBBGN-VOTSOKGWSA-N
MDL Number	MFCD00014015
Molecular Formula	C10H8O3
Molecular Weight	176.1687
NSC Number	143
SMILES	O=C(O)/C=C/C(C1=CC=CC=C1)=O
Synonyms	benzoylacrylic acid, beta-benzoylacrylic acid, 3-Benzoylacrylic acid, 583-06-2, (E)-4-oxo-4-phenylbut-2-enoic acid, 4-Oxo-4-phenyl-2-butenoic acid, Benzoylacrylic acid, Acrylic acid, 3-benzoyl-, 2-Butenoic acid, 4-oxo-4-phenyl-, 4-oxo-4-phenylbut-2-enoic acid, Crotonic acid, 4-oxo-4-phenyl-, 17812-07-6, NSC 143, .beta.-Benzoylacrylic acid, trans-3-Benzoylacrylic acid, 4-Phenyl-4-oxo-2-butenoic acid, EINECS 209-496-5, (2E)-4-oxo-4-phenylbut-2-enoic acid, CHEMBL16365, AI3-26616, NSC-143, PLPDHGOODMBBGN-VOTSOKGWSA-N, MFCD00014015, (E)-4-oxo-4-phenyl-but-2-enoic acid, Acrylic acid, 3-benzoyl- (6CI,7CI,8CI), A1-01400, (E)-3-BENZOYLACRYLIC ACID, 4-Oxo-4-phenyl-but-2-enoic acid, (E)-4-oxo-4-phenyl-2-butenoic acid, ss-Benzoyl-acrylsaure, ss-Benzoylacrylic acid, AC1LDVWS, 3-benzoyl acrylic acid, AC1Q5CNK, trans-3-Benzoylacrylicacid, AC1Q71ED, 4-Oxo-4-phenylcrotonic acid, trans-beta-benzoylacrylic acid, ARONIS24072, SCHEMBL312429, 3-benzoylacrylic acid (trans), NSC143, DTXSID1060392, ZINC39041, HMS1579K08, ALBB-025661, ZX-AT020581, 6046AE, BBL007891, BDBM50125821, SBB007952, STK358786, AKOS000267606, FR-0643, OR24077, (2E)-4-Oxo-4-phenyl-2-butenoic acid, NCGC00341436-01, AC-14424, AJ-08810, CC-14274, LS-47203, SC-14183, 3-Benzoylacrylic acid, predominantly trans, TC-164883, TR-020270, BB 0218773, CS-0040775, ST24035064, 2-butenoic acid, 4-oxo-4-phenyl-, (2E)-, 7N-710, Z-0814, AB01332184-02, AE-641/02009001, C-06114, I01-3920, W-111702, F2103-0016, InChI=1/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6, 3-BENZOYLACRYLICACID, 3 - Benzoylacrylic acid, C10H8O3, AR-1G4275, C10-H8-O3, CID676116, 2-Butenoic acid, 4-oxo-4-phenyl-, (E)-, 60045-64-9,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	176.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.171g/mol
Monoisotopic Mass	176.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number