AG002E77

18999-45-6 | 1H-Imidazole-1-propanoic acid

AG002E77

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CAS Number	18999-45-6
Catalog Number	AG002E77(AGN-PC-0KL725)
Chemical Name	1H-Imidazole-1-propanoic acid
IUPAC Name	3-imidazol-1-ylpropanoic acid
InChI	InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
InChI Key	VSFNAZLYGOOSEY-UHFFFAOYSA-N
MDL Number	MFCD02731119
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(O)CCN1C=CN=C1
Synonyms	3-(1H-imidazol-1-yl)propanoic acid, 18999-45-6, 3-Imidazol-1-yl-propionic acid, 3-(1-Imidazolyl)propanoic Acid, 1H-Imidazole-1-propanoic acid, 3-imidazol-1-ylpropanoic acid, CHEMBL20724, 3-imidazolylpropanoic acid, EC-000.1978, 3-Imidazol-1-Yl-PropionicAcid, AC1MDRQN, BAS 00341230, AC1Q75LB, SCHEMBL2001103, 3-(1-imidazolyl)propionic acid, CTK0H4227, DTXSID80383348, VSFNAZLYGOOSEY-UHFFFAOYSA-N, HMS1696K09, 3-(imidazol-1-yl)-propionic acid, ALBB-007358, BCP11410, 3(1H-imidazol-1-yl)propanoic acid, ANW-47593, BBL012376, BDBM50026405, MFCD02731119, SBB007368, STK392438, AKOS000263943, ZINC169290095, AB12684, CS-W002976, MCULE-9380136310, PS-3735, TRA0020938, 1H - Imidazole - 1 - propanoic acid, AC-26473, BR-33878, EN002357, ST023319, SY024292, AB0023093, DB-017673, ST2417330, TR-042882, 3-imidazol-1-yl-propionic acid, AldrichCPR, 4CH-012849, BB 0219203, FT-0691080, ST50224331, W4087, EN300-26163, MFCD02731119 (95%), S-4419, J-012268, I14-10772, Z53111117, C6H8N2O2, CID2794718, A4192, 3-(1H-Imidazol-1-yl)propanoic acid hydrochloride, 108-69-0,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number