AG002DZ5

18979-60-7 | 1,3-Benzenediol, 4-propyl-

AG002DZ5

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CAS Number	18979-60-7
Catalog Number	AG002DZ5(AGN-PC-0JLX32)
Chemical Name	1,3-Benzenediol, 4-propyl-
EC Number	242-714-7
IUPAC Name	4-propylbenzene-1,3-diol
InChI	InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,10-11H,2-3H2,1H3
InChI Key	DJDHQJFHXLBJNF-UHFFFAOYSA-N
MDL Number	MFCD00020120
Molecular Formula	C9H12O2
Molecular Weight	152.1904
SMILES	CCCC1=C(O)C=C(O)C=C1
UNII	N3P36AAK2U
Synonyms	4-Propylresorcinol, 4-propylbenzene-1,3-diol, 18979-60-7, 1,3-Benzenediol, 4-propyl-, 4-n-Propylresorcinol, UNII-N3P36AAK2U, N3P36AAK2U, DJDHQJFHXLBJNF-UHFFFAOYSA-N, AK-81520, EINECS 242-714-7, AC1L3EKZ, AC1Q79ZZ, 4-propyl-benzene-1,3-diol, SCHEMBL68200, 1,3-Benzenediol,4-propyl-, 4-Propyl-1,3-benzenediol #, CTK4E0215, KS-00000FMB, DTXSID90172402, ZINC5649540, ZX-AT008732, 9885AA, ANW-58492, CP-241, FCH922122, MFCD00020120, SBB055249, AKOS006345757, AS06999, MCULE-8665225395, RP21626, VZ29703, ACM18979607, AC-14366, AJ-54472, BC207608, CC-20367, TS-02026, AX8011345, DB-044717, TC-147237, FT-0637776, ST24044000, ST50949915, 979P607, A813361, C-03092, J-012248, J-515975, C9H12O2, CID87874, AR-1G4164, C9-H12-O2, 19367-61-4,

Complexity	114
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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number