AG003TAS

4737-50-2 | n-Pentylboronic acid

AG003TAS

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CAS Number	4737-50-2
Catalog Number	AG003TAS(AGN-PC-0JQA3Y)
Chemical Name	n-Pentylboronic acid
IUPAC Name	pentylboronic acid
InChI	InChI=1S/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
InChI Key	ABWPXVJNCQKYDR-UHFFFAOYSA-N
MDL Number	MFCD01074651
Molecular Formula	C5H13BO2
Molecular Weight	115.9665
NSC Number	524968
SMILES	CCCCCB(O)O
Synonyms	n-Pentylboronic acid, 4737-50-2, pentylboronic acid, 1-Pentaneboronic acid, 1-PENTYLBORONIC ACID, Boronic acid, pentyl-, PENTYLDIHYDROXYBORANE, Pentylboronsaure, n-Pentylboronicacid, AC1L6ZPW, N-PENTANEBORONIC ACID, SCHEMBL10239, B-PENTYL-BORONIC ACID, N-PENTYL BORONIC ACID, 1-PENTANE BORONIC ACID, CTK1D7040, KS-00000NMK, DTXSID50326166, ABWPXVJNCQKYDR-UHFFFAOYSA-N, ANW-42061, CP-328, MFCD01074651, NSC524968, AKOS013013911, ZINC169747075, AB08098, CS-W018820, LS11156, NSC-524968, RP19209, VB10767, AK-46118, AS-18755, BC001055, AB0029224, DB-002952, ST2419720, TL8003224, TR-017494, FT-0650400, P2267, X1364, A-9185, 737P502, A827200, I04-5924, J-523748, F0001-1263, Boronic acid, B-pentyl-, C(CCCC)B(O)O, C5H13BO2, CID352103, ACN-046509,

Complexity	47.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.101g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	115.967g/mol
Monoisotopic Mass	116.101g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number