AG00HSEA

1312425-07-2 | 3-Amino-5-(ethoxycarbonyl)benzoic acid

AG00HSEA

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CAS Number	1312425-07-2
Catalog Number	AG00HSEA(AGN-PC-0WAN6X)
Chemical Name	3-Amino-5-(ethoxycarbonyl)benzoic acid
IUPAC Name	3-amino-5-ethoxycarbonylbenzoic acid
InChI	InChI=1S/C10H11NO4/c1-2-15-10(14)7-3-6(9(12)13)4-8(11)5-7/h3-5H,2,11H2,1H3,(H,12,13)
InChI Key	FWJOEEOPJUMDND-UHFFFAOYSA-N
MDL Number	MFCD23703013
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(O)C1=CC(C(OCC)=O)=CC(N)=C1
Synonyms	3-Amino-5-(ethoxycarbonyl)benzoic acid, 1312425-07-2, AK100908, SCHEMBL330220, FWJOEEOPJUMDND-UHFFFAOYSA-N, MFCD23703013, ZINC95933291, AKOS022184870, DS-3645, AJ-137835,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number