AG00EM1A

56872-39-0 | 4-(4-Hydroxyphenyl)-4-oxobutanoic acid

AG00EM1A

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CAS Number	56872-39-0
Catalog Number	AG00EM1A(AGN-PC-0SMKUW)
Chemical Name	4-(4-Hydroxyphenyl)-4-oxobutanoic acid
IUPAC Name	4-(4-hydroxyphenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H10O4/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4,11H,5-6H2,(H,13,14)
InChI Key	QKDLXQWEBIYZSS-UHFFFAOYSA-N
MDL Number	MFCD06249037
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	40398
SMILES	O=C(O)CCC(C1=CC=C(O)C=C1)=O
Synonyms	4-(4-hydroxyphenyl)-4-oxobutanoic acid, 56872-39-0, EN300-94335, 4-(4-hydroxyphenyl)-4-oxobutyric acid, NSC40398, AC1Q5ECE, AC1L5Y4K, SCHEMBL2632218, CTK5A5833, DTXSID80285070, QKDLXQWEBIYZSS-UHFFFAOYSA-N, ZINC1671967, 3-(4-Hydroxylbenzoyl)propionic acid, MFCD06249037, NSC-40398, AKOS022186521, CS-W000648, MCULE-5425938673, NE56677, AJ-29230, AS-48481, gamma-p-hydroxyphenyl-gamma-ketobutyric acid, 4CH-000558, AE-641/00345020, Z1696822338, AR-1F6319, CID237130, 6357-99-9,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number