AG000LVO

1243391-44-7 | Benzoic acid, 3-(cyclopropylmethoxy)-4-hydroxy-

AG000LVO

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CAS Number	1243391-44-7
Catalog Number	AG000LVO(AGN-PC-0IKWE9)
Chemical Name	Benzoic acid, 3-(cyclopropylmethoxy)-4-hydroxy-
IUPAC Name	3-(cyclopropylmethoxy)-4-hydroxybenzoic acid
InChI	InChI=1S/C11H12O4/c12-9-4-3-8(11(13)14)5-10(9)15-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,13,14)
InChI Key	CPGNRCZMIIWDPZ-UHFFFAOYSA-N
MDL Number	MFCD16999961
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(O)C1=CC=C(O)C(OCC2CC2)=C1
Synonyms	3-(Cyclopropylmethoxy)-4-hydroxybenzoic acid, 1243391-44-7, AK140826, Benzoic acid, 3-(cyclopropylmethoxy)-4-hydroxy-, Roflumilast Impurity D, SCHEMBL6051023, DTXSID30741055, MFCD16999961, ZINC95829953, AKOS022173060, DS-7157, AJ-134101, CS-0062246, A1-06319,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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