AG0093QN

1057107-39-7 | 4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid

AG0093QN

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CAS Number	1057107-39-7
Catalog Number	AG0093QN(AGN-PC-0WA90T)
Chemical Name	4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid
IUPAC Name	4-(2-methoxycarbonylcyclopropyl)benzoic acid
InChI	InChI=1S/C12H12O4/c1-16-12(15)10-6-9(10)7-2-4-8(5-3-7)11(13)14/h2-5,9-10H,6H2,1H3,(H,13,14)
InChI Key	CNRLZWCRQCKPSD-UHFFFAOYSA-N
MDL Number	MFCD22393665
Molecular Formula	C12H12O4
Molecular Weight	220.2213
SMILES	COC(=O)C1CC1C1=CC=C(C=C1)C(O)=O
Synonyms	4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid, 1057107-39-7, 4-[2-(Methoxycarbonyl)cyclopropyl]benzoic acid, SCHEMBL12042346, DTXSID20731263, 1283AA, MFCD22393665, QC-161, AKOS016000375, KS-00000R04, AK118912, AX8244328, ST2417939, 4-(2-methoxycarbonylcyclopropyl)benzoic acid, 4CH-016115, C12H12O4, 4-(2-(Methoxycarbonyl)cyclopropyl)benzoicacid,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.224g/mol
Monoisotopic Mass	220.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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