AG00DLNF

46190-45-8 | Methyl 4-(2-hydroxyethyl)benzoate

AG00DLNF

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CAS Number	46190-45-8
Catalog Number	AG00DLNF(AGN-PC-000CAM)
Chemical Name	Methyl 4-(2-hydroxyethyl)benzoate
IUPAC Name	methyl 4-(2-hydroxyethyl)benzoate
InChI	InChI=1S/C10H12O3/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5,11H,6-7H2,1H3
InChI Key	KIDZPYBADRFBHD-UHFFFAOYSA-N
MDL Number	MFCD24447574
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(OC)C1=CC=C(CCO)C=C1
Synonyms	methyl 4-(2-hydroxyethyl)benzoate, 46190-45-8, Benzoic acid, 4-(2-hydroxyethyl)-, methyl ester, SCHEMBL2655571, CTK1D2001, DTXSID40555549, KIDZPYBADRFBHD-UHFFFAOYSA-N, MFCD24447574, ZINC14451073, AKOS027322211, OR42262, AS-41089, BBV-50424241, DA-05691, 4-(2-Hvdroxyethyl)benzoic acid methyl ester, 4-(2-Hydroxyethyl)benzoic Acid Methyl Ester, FT-0754926,

Complexity	160
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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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