AG003I8D

5554-99-4 | (2-methylfuran-3-yl)methanol

AG003I8D

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CAS Number	5554-99-4
Catalog Number	AG003I8D(AGN-PC-0KKY1E)
Chemical Name	(2-methylfuran-3-yl)methanol
IUPAC Name	(2-methylfuran-3-yl)methanol
InChI	InChI=1S/C6H8O2/c1-5-6(4-7)2-3-8-5/h2-3,7H,4H2,1H3
InChI Key	FTYOGLDPNBZSQC-UHFFFAOYSA-N
MDL Number	MFCD00052572
Molecular Formula	C6H8O2
Molecular Weight	112.1265
SMILES	OCC1=C(C)OC=C1
Synonyms	5554-99-4, (2-methylfuran-3-yl)methanol, (2-Methyl-3-furyl)methanol, 3-(Hydroxymethyl)-2-methylfuran, 2-Methyl-3-furanmethanol, 3-Furanmethanol, 2-methyl-, (2-methyl-furan-3-yl)-methanol, AC1MCRIC, 3-Furanmethanol,2-methyl-, (2-Methylfur-3-yl)methanol, 3-hydroxymethyl-2-methylfuran, SCHEMBL1756881, CTK5A3781, (2-methyl-3-furyl)methan-1-ol, DTXSID20380396, FTYOGLDPNBZSQC-UHFFFAOYSA-N, ZINC159615, KS-00002A5H, 8108AB, ANW-72966, GEO-01837, MFCD00052572, SBB054803, AKOS009158177, MCULE-7321265649, PS-4323, QC-3020, SB18001, TRA0055802, AJ-15509, CJ-01892, SC-91684, SY026412, AB0054163, DB-072006, TC-161711, FT-0723235, EN300-76107, K-9917, MFCD00052572 (95+%), W-200431, Z1259161732, C6H8O2, ZINC00159615, CID2777165,

Complexity	72.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.052g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.128g/mol
Monoisotopic Mass	112.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number