AG0016J0

122-63-4 | Propanoic acid, phenylmethyl ester

AG0016J0

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CAS Number	122-63-4
Catalog Number	AG0016J0(AGN-PC-0JKLT8)
Chemical Name	Propanoic acid, phenylmethyl ester
EC Number	204-559-3
FEMA Number	2150
IUPAC Name	benzyl propanoate
InChI	InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	VHOMAPWVLKRQAZ-UHFFFAOYSA-N
MDL Number	MFCD00027003
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	46100
SMILES	CCC(OCC1=CC=CC=C1)=O
UNII	307DN1208L
Synonyms	BENZYL PROPIONATE, 122-63-4, Benzyl propanoate, Propanoic acid, phenylmethyl ester, Propionic acid, benzyl ester, Phenylmethyl propanoate, Propionic Acid Benzyl Ester, Phenylmethyl propionate, Benzyl propionate (natrual), Benzyl n-propionate, FEMA No. 2150, UNII-307DN1208L, EINECS 204-559-3, NSC 46100, AI3-02952, Propionic acid, benzyl ester (6CI,7CI,8CI), VHOMAPWVLKRQAZ-UHFFFAOYSA-N, MFCD00027003, 307DN1208L, Benzyl propinate, benzylpropanoate, benzylpropionate, enzyl n-propionate, propionic acid benzyl, Nat.Benzyl Propionate, (phenylmethyl) propanoate, propanoic acid benzyl ester, EC 204-559-3, ACMC-1BU38, DSSTox_CID_24791, DSSTox_RID_80479, DSSTox_GSID_44791, KSC492E9J, SCHEMBL111605, AC1L1L61, CHEMBL3185609, DTXSID4044791, CTK3J2294, FEMA 2150, ZINC394884, Benzyl propionate, >=98%, FCC, KS-00000X0P, NSC46100, propanoic acid (phenylmethyl) ester, Tox21_301783, ANW-18005, NSC-46100, SBB061239, Benzyl propionate, analytical standard, AKOS005206945, DS-6366, LS-2582, MCULE-6579799733, Benzyl propionate, >=98%, FCC, FG, NCGC00256011-01, AC-17034, AJ-21455, AK113975, AN-22882, CAS-122-63-4, CJ-03644, M038, ZB012463, RT-000475, CS-0017193, FT-0622781, P0501, ST24030158, ST50405461, Benzyl propionate, natural, >=98%, FCC, FG, A804933, I14-7339, PROPANOATE, BENZYL, C10H12O2, CID31219, C10-H12-O2, Benzyl propionate, 99% - 100ML 100ml,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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