AG00BYJI

4254-85-7 | 1,5-Dihydroxypentan-3-one

AG00BYJI

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CAS Number	4254-85-7
Catalog Number	AG00BYJI(AGN-PC-0WBOBN)
Chemical Name	1,5-Dihydroxypentan-3-one
IUPAC Name	1,5-dihydroxypentan-3-one
InChI	InChI=1S/C5H10O3/c6-3-1-5(8)2-4-7/h6-7H,1-4H2
InChI Key	DEOWHQAFPBKSMV-UHFFFAOYSA-N
MDL Number	MFCD06658431
Molecular Formula	C5H10O3
Molecular Weight	118.1311
SMILES	O=C(CCO)CCO
Synonyms	1,5-Dihydroxypentan-3-one, 4254-85-7, 1,5-DIHYDROXY-PENTAN-3-ONE, 1,5-dihydroxy-3-pentanone, 3-Pentanone,1,5-dihydroxy-, SCHEMBL483277, 1,5-bis(oxidanyl)pentan-3-one, CTK4I6389, DTXSID00565482, 5879AB, MFCD06658431, ZINC34410321, AKOS006292344, 1,5-dihydroxy-pentan-3-one, AldrichCPR, AJ-88370, AS-30281, DB-005647, FT-0690907, K-8826, A825938, C5H10O3,

Complexity	62.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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