AG003UGE

692-29-5 | Succinic semialdehyde

AG003UGE

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CAS Number	692-29-5
Catalog Number	AG003UGE(AGN-PC-0JK5R7)
Chemical Name	Succinic semialdehyde
IUPAC Name	4-oxobutanoic acid
InChI	InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChI Key	UIUJIQZEACWQSV-UHFFFAOYSA-N
MDL Number	MFCD00010579
Molecular Formula	C4H6O3
Molecular Weight	102.0886
SMILES	O=C(O)CCC=O
UNII	M73BX3CPMU
Synonyms	gamma-oxybutyric acid, succinic semialdehyde, succinic semialdehyde, calcium salt, 4-Oxobutanoic acid, Succinic semialdehyde, Succinaldehydic acid, 692-29-5, Succinic acid semialdehyde, beta-Formylpropionic acid, gamma-Oxybutyric acid, 3-Formylpropanoic acid, Butryaldehydic acid, 3-Formylpropionic acid, 4-oxo-butanoic acid, Butanoic acid, 4-oxo-, UNII-M73BX3CPMU, 4-Oxobutyric acid, Succinic semialdehyde solution, 4-oxo-butyric acid, Semi-aldehyde succinique [French], M73BX3CPMU, BRN 1745187, semialdehyde succinique, Succinic semialdehyde monomer, 4-03-00-01554 (Beilstein Handbook Reference), CHEBI:16265, Butanoic acid, 4-oxo- (9CI), Semi-aldehyde succinique, LS-147265, Butryaldehydate, C00232, Succinaldehydate, gamma-Oxybutyrate, 3-Formylpropanoate, 4-ketobutyric acid, beta-Formylpropionate, AC1L1AR2, SCHEMBL59553, CTK2F3243, DTXSID00219231, UIUJIQZEACWQSV-UHFFFAOYSA-N, ZINC1532577, FCH963915, LMFA06000118, AKOS006223730, CC-34570, HY-104071, CS-0028111, FT-0632816, Succinic semialdehyde solution ~15% in water, 692S295, C-00265, I04-9578, 75002101-E68F-401B-8773-972512002B60, 4-Oxobutanoate, succinic acid, succinate semialdehyde, CID1112, FA(4:0(Ke)), 2-Formylpropionic Acid Ethyl Ester, succinic semialdehyde, calcium salt, C4-H6-O3, C009338, SIN, SSN,

Complexity	77
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.032g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	102.089g/mol
Monoisotopic Mass	102.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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