AG003DBL

37939-50-7 | Heptane-1,2,7-triol

AG003DBL

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CAS Number	37939-50-7
Catalog Number	AG003DBL(AGN-PC-02JBVP)
Chemical Name	Heptane-1,2,7-triol
IUPAC Name	heptane-1,2,7-triol
InChI	InChI=1S/C7H16O3/c8-5-3-1-2-4-7(10)6-9/h7-10H,1-6H2
InChI Key	CTRCJSPDRXFNNN-UHFFFAOYSA-N
MDL Number	MFCD01861288
Molecular Formula	C7H16O3
Molecular Weight	148.2001
SMILES	OCC(O)CCCCCO
Synonyms	1,2,7-Heptanetriol, heptane-1,2,7-triol, 37939-50-7, ACMC-209iw8, SCHEMBL818911, CTK1C1313, DTXSID70599436, ANW-28758, MFCD01861288, AKOS027321034, TC-117503, I14-99780, H0957,

Complexity	65.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.11g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	148.202g/mol
Monoisotopic Mass	148.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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