AG0032O5

34450-18-5 | 17-Octadecynoic acid

AG0032O5

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CAS Number	34450-18-5
Catalog Number	AG0032O5(AGN-PC-0JK5V6)
Chemical Name	17-Octadecynoic acid
IUPAC Name	octadec-17-ynoic acid
InChI	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)
InChI Key	DZIILFGADWDKMF-UHFFFAOYSA-N
MDL Number	MFCD00077382
Molecular Formula	C18H32O2
Molecular Weight	280.4455
SMILES	C(CCCCCCCCCCCCCCCC#C)(=O)O
Synonyms	17-octadecynoic acid, 17-octadecynoic acid, 34450-18-5, 17-ODYA, Octadec-17-ynoic acid, Alkynyl Stearic Acid, MFCD00077382, SR-01000597622, Tocris-0607, 17-octadecyn-1-oic acid, AC1L1BI5, AC1Q5WA1, CBiol_001996, BSPBio_001367, KBioGR_000087, KBioSS_000087, SCHEMBL979048, BML3-C04, CHEMBL182310, GTPL8851, CTK1C2979, KBio2_000087, KBio2_002655, KBio2_005223, KBio3_000173, KBio3_000174, DTXSID50188024, CHEBI:142447, DZIILFGADWDKMF-UHFFFAOYSA-N, Bio1_000282, Bio1_000771, Bio1_001260, Bio2_000087, Bio2_000567, HMS1361E09, HMS1791E09, HMS1989E09, HMS3402E09, HMS3649J09, 17-ODYA (17-Octadecynoic acid), ZINC3870662, 1269AH, LMFA01030575, AKOS024458580, 17-Octadecynoic acid, >=95% (GC), ACM34450185, IDI1_033837, NCGC00024681-01, NCGC00024681-02, NCGC00024681-03, NCGC00024681-04, BP-23391, B6373, FT-0752313, C-53508, J-019614, SR-01000597622-1, SR-01000597622-2, 17-OCTADECYNOICACID, CID1449, C18H32O2, AR-1C1164, C18-H32-O2, FA(18:2), 35667-12-0,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.24g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.452g/mol
Monoisotopic Mass	280.24g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.1

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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