AG00EAWW

61389-68-2 | METHYL 3-(3-HYDROXYPHENYL)PROPIONATE

AG00EAWW

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CAS Number	61389-68-2
Catalog Number	AG00EAWW(AGN-PC-0K69EU)
Chemical Name	METHYL 3-(3-HYDROXYPHENYL)PROPIONATE
IUPAC Name	methyl 3-(3-hydroxyphenyl)propanoate
InChI	InChI=1S/C10H12O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
InChI Key	IIFOKIAATXLZIB-UHFFFAOYSA-N
MDL Number	MFCD03788460
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	COC(=O)CCC1=CC=CC(O)=C1
Synonyms	Methyl 3-(3-hydroxyphenyl)propanoate, 61389-68-2, Methyl 3-(3-hydroxyphenyl)propionate, Benzenepropanoic acid, 3-hydroxy-, methyl ester, AK-79037, AC1LTQMF, SCHEMBL1124591, CTK2F1988, KS-00000GKO, DTXSID20363765, IIFOKIAATXLZIB-UHFFFAOYSA-N, methyl 3-hydroxy-benzenepropanoate, ZINC1433361, ANW-63584, MFCD03788460, AKOS006345964, VZ26949, AJ-25926, CJ-23403, DS-17540, SC-73789, 3-Hydroxybenzenepropionic acid methyl ester, AX8138412, DB-005448, TX-017709, 3-Hydroxy-benzenepropanoic acid methyl ester, FT-0693530, X5331, 3-(3-hydroxyphenyl)propionic acid methyl ester, M16512, 3-(3-hydroxy-phenyl)-propionic acid methyl ester, methyl 3-(3-hydroxyphenyl)propionate, AldrichCPR, METHYL3- PROPIONATE, C10H12O3, CID1512675,

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	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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