AG003PLC

7250-55-7 | Dimethyl 3-hydroxypentanedioate

AG003PLC

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CAS Number	7250-55-7
Catalog Number	AG003PLC(AGN-PC-0JOA5N)
Chemical Name	Dimethyl 3-hydroxypentanedioate
IUPAC Name	dimethyl 3-hydroxypentanedioate
InChI	InChI=1S/C7H12O5/c1-11-6(9)3-5(8)4-7(10)12-2/h5,8H,3-4H2,1-2H3
InChI Key	CUPGMRSSZADEIW-UHFFFAOYSA-N
MDL Number	MFCD00042841
Molecular Formula	C7H12O5
Molecular Weight	176.1672
NSC Number	30047
SMILES	O=C(OC)CC(O)CC(OC)=O
Synonyms	Dimethyl 3-hydroxypentanedioate, 7250-55-7, Dimethyl 3-hydroxyglutarate, 3-Hydroxyglutaric acid dimethyl ester, Pentanedioic acid, 3-hydroxy-, dimethyl ester, Glutaric acid, 3-hydroxy-, dimethyl ester, CUPGMRSSZADEIW-UHFFFAOYSA-N, AK-81749, dimethyl 3-hydroxypentane-1,5-dioate, NSC30047, AC1Q5ZSW, Dimethyl-3-hydroxyglutarate, ACMC-1BC34, SCHEMBL28243, AC1L5O02, CTK5D6278, DTXSID20283136, Dimethyl 3-hydroxypentanedioate #, Dimethyl 3-hydroxyglutarate, 98%, ALBB-025829, ZINC1656177, ZX-AN024342, 1,5-dimethyl 3-hydroxypentanedioate, ANW-60708, MFCD00042841, NSC 30047, NSC-30047, SBB072706, AKOS015918312, CS-W008294, DS-2386, MCULE-8366292930, MP-2253, TRA0050900, KS-00000G28, AJ-28874, CJ-05992, CJ-26791, SC-25212, SY017678, 3-Hydroxy-pentanedioic Acid Dimethyl Ester, AB0021031, AX8125327, DB-024462, ST2412828, TC-149453, FT-0657295, ST45028978, V2180, MFCD00042841 (95%), 250D557, C-48150, Pentanedioic acid,3-hydroxy-, 1,5-dimethyl ester, I14-7658, Dimethyl 3-hydroxyglutarate, purum, >=97.0% (GC), InChI=1/C7H12O5/c1-11-6(9)3-5(8)4-7(10)12-2/h5,8H,3-4H2,1-2H, Dimethyl3-hydroxyglutarate, Glutaric acid, dimethyl ester, C7H12O5, Pentanedioic acid, dimethyl ester, AR-1I5533, CID232491, Dimethyl 3-hydroxyglutarate, 98% - 5G 5g, 93627-25-9,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.168g/mol
Monoisotopic Mass	176.068g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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