AG0037F4

597-31-9 | 3-Hydroxy-2,2-Dimethylpropanal

AG0037F4

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CAS Number	597-31-9
Catalog Number	AG0037F4(AGN-PC-0JKA61)
Chemical Name	3-Hydroxy-2,2-Dimethylpropanal
EC Number	209-895-4
IUPAC Name	3-hydroxy-2,2-dimethylpropanal
InChI	InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3
InChI Key	JJMOMMLADQPZNY-UHFFFAOYSA-N
MDL Number	MFCD00006963
Molecular Formula	C5H10O2
Molecular Weight	102.1317
NSC Number	91821
SMILES	OCC(C=O)(C)C
UNII	6DK0IR9LLR
Synonyms	3-Hydroxy-2,2-dimethylpropanal, 597-31-9, Hydroxypivaldehyde, Pentaldol, Hydroxypivalaldehyde, 3-Hydroxypivalaldehyde, Propanal, 3-hydroxy-2,2-dimethyl-, 2,2-Dimethyl-3-hydroxypropionaldehyde, Pentaaldol, 2,2-Dimethyl-3-hydroxypropanal, UNII-6DK0IR9LLR, 2,2-Dimethyl-3-hydroxypropioaldehyde, HSDB 5711, Hydracrylaldehyde, 2,2-dimethyl-, 2-(Hyroxymethyl)-2-methylpropanal, 3-HYDROXY-2,2-DIMETHYLPROPIONALDEHYDE, EINECS 209-895-4, 6DK0IR9LLR, 2,2-Dimethyl-beta-hydroxypropionaldehyde, Propionaldehyde, 3-hydroxy-2,2-dimethyl-, alpha,alpha-Dimethyl-beta-hydroxypropionaldehyde, JJMOMMLADQPZNY-UHFFFAOYSA-N, Propanal, 2,2-dimethyl-3-hydroxy-, Hydracrylaldehyde, 2,2-dimethyl- (6CI,7CI,8CI), AC1L1XXI, NCIOpen2_005680, SCHEMBL36074, DTXSID9027231, CTK3J5916, 3-hydroxy-2,2-dimethyl-propanal, 2,2-dimethyl-3-oxidanyl-propanal, 3-Hydroxy-2,2-dimethylpropanal #, ACT02889, NSC91821, ZINC1592690, AC-366, ANW-46718, MFCD00006963, NSC-91821, 2,2-dimethyl-3-hydroxypropanaldehyde, 3-hydroxy-2,2-dimethylpropanaldehyde, AKOS006240724, RTR-037217, 2,2-dimethyl-3-hydroxy-propionaldehyde, 3-hydroxy-2,2-dimethyl-propionaldehyde, AN-15906, AS-34997, AT-14432, BC224281, CJ-25511, SC-48281, LS-118977, TR-037217, FT-0081297, FT-0648885, W7254, Q-9360, 597H319, A832441, I14-7019, Q-200160, 2,2-DIMETHYL-3-HYDROXYPROPIONALDEHYDE, TECH., 31091-91-5, 2-(Hydroxymethyl)isobutyraldehyde, CID11699, C5-H10-O2, 67755-97-9,

Complexity	66.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	102.133g/mol
Monoisotopic Mass	102.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

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