AG003HL2

2163-42-0 | 2-Methylpropane-1,3-diol

AG003HL2

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CAS Number	2163-42-0
Catalog Number	AG003HL2(AGN-PC-0CGPK1)
Chemical Name	2-Methylpropane-1,3-diol
IUPAC Name	2-methylpropane-1,3-diol
InChI	InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
InChI Key	QWGRWMMWNDWRQN-UHFFFAOYSA-N
MDL Number	MFCD00082586
Molecular Formula	C4H10O2
Molecular Weight	90.1210
SMILES	OCC(C)CO
UNII	N8F53B3R4R
Synonyms	2-methyl-1,3-propanediol, 2-Methyl-1,3-propanediol, 2-Methylpropane-1,3-diol, 2163-42-0, 1,3-Propanediol, 2-methyl-, MP diol glycol, 1,3-Dihydroxy-2-methylpropane, UNII-N8F53B3R4R, N8F53B3R4R, Propane-1,3-diol, 2-methyl-, QWGRWMMWNDWRQN-UHFFFAOYSA-N, methyl propanediol, mpdiol(r), mpdiol(r) glycol, 2-methyl-3-propanediol, ACMC-1CDKN, 2-methypropan-1,3-diol, DSSTox_CID_9231, 2-methyl-1,3-propandiol, 2-methylpropan-1,3-diol, 3-propanediol,2-methyl-1, AC1L2O1O, AC1Q7BJ1, 2-methyl-propan-1,3-diol, DSSTox_RID_78720, 2-methyl-propane-1,3-diol, DSSTox_GSID_29231, CHEMBL3183047, DTXSID3029231, CTK3I9658, HSDB 7267, KS-00000UNW, QWGRWMMWNDWRQN-UHFFFAOYSA-, 2-Methyl-1,3-propanediol, 99%, ZINC1841391, Tox21_200047, ANW-24525, MFCD00082586, AKOS015856381, MCULE-2340730326, NE11200, RTR-032027, TRA-0183625, NCGC00248505-01, NCGC00257601-01, AJ-31789, AN-50481, S032, SC-20510, CAS-2163-42-0, ST2417107, TR-032027, FT-0082725, FT-0612887, M1114, EN300-85197, I14-18564, F0001-0772, InChI=1/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3, methylpropanediol, DIETHYL PROPYLMALONATE, C4H10O2, CID75103, AR-1E4158, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl acrylate, 102940-86-3, 22176-45-0, TRS,

Complexity	24.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	90.068g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	90.122g/mol
Monoisotopic Mass	90.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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

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