AG0072A0

4412-91-3 | 3-Hydroxymethylfuran

AG0072A0

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CAS Number	4412-91-3
Catalog Number	AG0072A0(AGN-PC-07A1ZM)
Chemical Name	3-Hydroxymethylfuran
EC Number	224-570-7
IUPAC Name	furan-3-ylmethanol
InChI	InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChI Key	STJIISDMSMJQQK-UHFFFAOYSA-N
MDL Number	MFCD00005352
Molecular Formula	C5H6O2
Molecular Weight	98.0999
SMILES	OCC1=COC=C1
UNII	6E4MK4DV6C
Synonyms	3-FURANMETHANOL, 4412-91-3, furan-3-ylmethanol, Furan-3-methanol, 3-Furylmethanol, 3-(Hydroxymethyl)furan, 3-Furfuryl alcohol, 3-HYDROXYMETHYLFURAN, 3-Furyl Alcohol, Furan-3-yl-methanol, (furan-3-yl)methanol, 3-(hydroxymethyl)-furan, UNII-6E4MK4DV6C, 6E4MK4DV6C, STJIISDMSMJQQK-UHFFFAOYSA-N, 3-Furanmethanol, 99%, 3-Furancarbinol, 3-Furylcarbinol, furano-3-metanol, furanne-3-methanol, 3-furan methanol, 3-furanylmethanol, (3-furyl)carbinol, 3-Furylmethanol #, EINECS 224-570-7, 3-furylmethan-1-ol, (Fur-3-yl)methanol, PubChem6951, AC1L2GAA, ACMC-1AIJ5, Furan-3-methanol, 99%, AC1Q7C3X, AC1Q7C3Y, KSC237A2F, AMOT0242, CHEMBL440914, CTK1D7022, KS-00000NMH, DTXSID70196045, ALBB-015021, STR02020, ZINC2037862, ANW-30065, GEO-01444, MFCD00005352, SBB004374, AKOS005174964, AM85772, CS-W007708, MCULE-1188853308, RTC-020856, AJ-33093, AK-46116, BP-10475, BR-46116, CJ-07557, CJ-32104, SC-04508, AB0008639, DB-051189, ST2417727, TC-020856, 4CH-015578, F0360, FT-0615763, EN300-50082, S-1951, A826496, AE-641/00180028, J-640069, S14-0725, W-200375, Z1198386791, InChI=1/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H, furanne-3-m?thanol, C5H6O2, C5-H6-O2, CID20449, 3-Furanmethanol, 98% - 5G 5g, ACN-025639, H101,

Complexity	54
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.037g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	98.101g/mol
Monoisotopic Mass	98.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1987

Certificate of Analysis

Lot Number