AG0007VF

10259-22-0 | Benzoic acid, 3-methoxy-, ethyl ester

AG0007VF

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CAS Number	10259-22-0
Catalog Number	AG0007VF(AGN-PC-0JL73S)
Chemical Name	Benzoic acid, 3-methoxy-, ethyl ester
EC Number	233-598-9
IUPAC Name	ethyl 3-methoxybenzoate
InChI	InChI=1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChI Key	GSQLMBQLTPEPHD-UHFFFAOYSA-N
MDL Number	MFCD00015149
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	C(=O)(OCC)c1cc(OC)ccc1
Synonyms	ethyl 3-methoxybenzoate, 10259-22-0, Ethyl m-anisate, Benzoic acid, 3-methoxy-, ethyl ester, 3-METHOXYBENZOIC ACID ETHYL ESTER, GSQLMBQLTPEPHD-UHFFFAOYSA-N, EINECS 233-598-9, Ethyl-3-methoxybenzoate, AC1Q4FDO, KSC493S0B, ETHYL M-METHOXYBENZOATE, AC1L252C, SCHEMBL1248647, RARECHEM AL BI 0060, CTK3J3900, DTXSID40145343, WT333, 3-methoxy-benzoic acid ethyl ester, ACMC-209829, KS-00000YQ7, ZINC2015864, ANW-14719, EBD215472, MFCD00015149, SBB071413, STK014282, AKOS003596811, AS01114, MCULE-2177723101, 10259-22-0 ethyl 3-methoxybenzoate, AJ-32609, AS-11356, CJ-31295, ST092307, AB0009722, RT-001762, ST2406927, 4CH-002550, FT-0615989, M-2613, I01-11576, C10H12O3, CID66299, C10-H12-O3,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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