AG0025RQ

17812-32-7 | L-Aspartic acid a-methyl ester hcl

AG0025RQ

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CAS Number	17812-32-7
Catalog Number	AG0025RQ(AGN-PC-0O51IN)
Chemical Name	L-Aspartic acid a-methyl ester hcl
EC Number	605-818-7
IUPAC Name	(3S)-3-amino-4-methoxy-4-oxobutanoic acid
InChI	InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
InChI Key	SWWBMHIMADRNIK-VKHMYHEASA-N
MDL Number	MFCD00080289
Molecular Formula	C5H9NO4
Molecular Weight	147.1293
SMILES	O=C(O)C[C@H](N)C(OC)=O
Synonyms	H-Asp-OMe, 17812-32-7, 1-Methyl L-Aspartate, (S)-3-amino-4-methoxy-4-oxobutanoic acid, (3S)-3-amino-4-methoxy-4-oxobutanoic acid, L-Aspartic Acid 1-Methyl Ester, l-aspartic acid methyl ester, MFCD00080289, J-501017, AK-41500, AC1ODWBT, PubChem13176, SCHEMBL416894, CTK3J1668, DTXSID70426394, EBD44191, ZINC1709620, FCH920509, AKOS016842902, RTR-008164, AC-19184, AJ-91412, DS-13863, SC-24738, AB0020367, AX8018935, TX-017663, FT-0652141, M1859, ST24036130, V1217, K-5466, 812H327, I04-1280, L-Aspartic acid 1-methyl ester; 3-Amino-4-methoxy-4-oxobutanoic acid; H-Asp-OMe, Methyl L-aspartate, H-DL-Asp-OMe, H-Asp-OMe - 5G 5g, C5H9NO4, NSC120023, ACN-033077, CID6994682, A7109, A7129, 2177-62-0,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	147.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	147.13g/mol
Monoisotopic Mass	147.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number