AG006WDB

500-49-2 | 1,3-Benzenediol, 5-propyl-

AG006WDB

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CAS Number	500-49-2
Catalog Number	AG006WDB(AGN-PC-0COH8J)
Chemical Name	1,3-Benzenediol, 5-propyl-
IUPAC Name	5-propylbenzene-1,3-diol
InChI	InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3
InChI Key	FRNQLQRBNSSJBK-UHFFFAOYSA-N
MDL Number	MFCD10686919
Molecular Formula	C9H12O2
Molecular Weight	152.1904
SMILES	CCCc1cc(O)cc(c1)O
Synonyms	5-propylbenzene-1,3-diol, 500-49-2, 1,3-Benzenediol, 5-propyl-, Divarin, Divarinol, 5-propyl resorcinol, AC1Q2UVP, AC1MJ0X7, SCHEMBL67909, CTK1H0512, DTXSID40198172, ZINC14680385, AKOS022634802, EN300-36597, A1-02506, Z2065788239, C9-H12-O2, CID3083600,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.193g/mol
Monoisotopic Mass	152.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P271-P280
UN Code

Certificate of Analysis

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