AG003KU2

2284-30-2 | 4-Benzylbenzene-1,3-diol

AG003KU2

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CAS Number	2284-30-2
Catalog Number	AG003KU2(AGN-PC-0JLP9L)
Chemical Name	4-Benzylbenzene-1,3-diol
EC Number	218-922-9
IUPAC Name	4-benzylbenzene-1,3-diol
InChI	InChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
InChI Key	QVFIWTNWKHFVEH-UHFFFAOYSA-N
MDL Number	MFCD00059620
Molecular Formula	C13H12O2
Molecular Weight	200.2332
SMILES	OC1=CC=C(CC2=CC=CC=C2)C(O)=C1
Synonyms	4-Benzylresorcinol, 2284-30-2, 4-benzylbenzene-1,3-diol, 4-Benzyl resorcinol, Resorcinol, 4-benzyl-, 1,3-Benzenediol, 4-(phenylmethyl)-, BRN 2212106, EINECS 218-922-9, CHEMBL3109721, QVFIWTNWKHFVEH-UHFFFAOYSA-N, AC1L2OGL, ACMC-209fz7, 4-benzyl-benzene-1,3-diol, SCHEMBL68292, 3-06-00-05404 (Beilstein Handbook Reference), 4-Benzyl-1,3-benzenediol #, DTXSID9062306, CTK4F0323, QVFIWTNWKHFVEH-UHFFFAOYSA-, KS-000012LU, ZINC1841334, 1,3-Benzenediol,4-(phenylmethyl)-, ANW-24977, BDBM50446415, MFCD00059620, AKOS027320941, ACM2284302, CJ-30004, LS-143383, TC-113722, B0438, FT-0692414, C-44463, InChI=1/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2, CID75294, C13-H12-O2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.084g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.237g/mol
Monoisotopic Mass	200.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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