AG003O4L

5467-99-2 | Benzyl 4-methylbenzoate

AG003O4L

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CAS Number	5467-99-2
Catalog Number	AG003O4L(AGN-PC-0JO8TV)
Chemical Name	Benzyl 4-methylbenzoate
IUPAC Name	benzyl 4-methylbenzoate
InChI	InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key	LNXGEZSXCGDUSD-UHFFFAOYSA-N
MDL Number	MFCD04347391
Molecular Formula	C15H14O2
Molecular Weight	226.2705
NSC Number	25467
SMILES	O=C(OCC1=CC=CC=C1)C2=CC=C(C)C=C2
Synonyms	Benzyl 4-methylbenzoate, 5467-99-2, Benzoic acid, 4-methyl-, phenylmethyl ester, 4-Methylbenzoic acid benzyl ester, Benzyl p-toluate, p-Toluic acid, benzyl ester, Benzyl-4-methylbenzoate, Benzyl 4-methylbenzoate #, AC1L5JP8, SCHEMBL6057219, SCHEMBL9409652, CTK1H2659, DTXSID90282338, LNXGEZSXCGDUSD-UHFFFAOYSA-N, AC1Q6618, KS-00000SD2, NSC25467, ZINC1622006, MFCD04347391, NSC-25467, AKOS003442383, AM83217, DS-8198, 1711-35-9, AJ-28367, AK155074, ST24046118, AR-1H9562, CID230518, 6327-84-0,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.099g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.275g/mol
Monoisotopic Mass	226.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number