AG00EBPA

5685-38-1 | 2-Phenyl-cyclopropanecarboxylic acid

AG00EBPA

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CAS Number	5685-38-1
Catalog Number	AG00EBPA(AGN-PC-01KC1W)
Chemical Name	2-Phenyl-cyclopropanecarboxylic acid
EC Number	213-366-3
IUPAC Name	2-phenylcyclopropane-1-carboxylic acid
InChI	InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)
InChI Key	AHDDRJBFJBDEPW-UHFFFAOYSA-N
MDL Number	MFCD00066860
Molecular Formula	C10H10O2
Molecular Weight	162.1852
NSC Number	245855
SMILES	OC(=O)C1CC1C1=CC=CC=C1
Synonyms	(1R)-menthyl (1S,2S)-(+)-2-phenylcyclopropanecarboxylate, 2-PhCPCOOH, 2-phenylcyclopropanecarboxylic acid, 2-phenylcyclopropanecarboxylic acid, (1R-trans)-isomer, 2-phenylcyclopropanecarboxylic acid, (cis)-isomer, 2-Phenylcyclopropanecarboxylic acid, 5685-38-1, 2-phenylcyclopropane-1-carboxylic acid, 2-Phenyl-cyclopropanecarboxylic acid, trans-2-Phenylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 2-phenyl-, cis-1-Phenylcyclopropane-2-carboxylic acid, (1R,2R)-2-phenylcyclopropane-1-carboxylic acid, Oprea1_255436, ACMC-209roj, AC1Q5UQI, AC1L2DU7, AC1Q74CF, Cambridge id 5100597, SCHEMBL323823, 1-Carboxy-2-phenylcyclopropane, CTK1H0171, (2-Carboxycycloprop-1-yl)benzene, AHDDRJBFJBDEPW-UHFFFAOYSA-N, HMS1577M05, BCP15494, KS-000007XS, EINECS 213-366-3, 8324AB, BBL013784, MFCD00066860, NSC245855, SBB003944, STK346858, 2-phenyl-1-cyclopropanecarboxylic acid, AKOS000311526, CS-W021743, FS-1896, MCULE-4945206002, NE18226, NSC-245855, TRA0076139, AK109855, AK109985, AK158928, SC-71542, SY056952, ST45137452, EN300-54618, MFCD00066860 (95%), A22258, I04-0383, F8888-7296, Z823287386, InChI=1/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12, UNII-AJY6BGY81V, AJY6BGY81V, trans-2-Phenyl-1-cyclopropanecarboxylic acid, C10H10O2, CID70323, AR-1E4942, 939-90-2, (1R,2R)-2-phenylcyclopropanecarboxylic acid, (1r,2s)-2-phenylcyclopropanecarboxylic acid, (1R,2S)-rel-2-Phenylcyclopropanecarboxylic acid, (1s,2s)-2-phenylcyclopropanecarboxylic acid, 2-PHENYL-CYCLOPROPANECARBOXYLICACID, (1S,2R)-2-Phenylcyclopropanecarboxylic acid, C3143, trans-2-Phenylcyclopropane-1-carboxylic acid, 939-89-9, 23020-15-7, 48126-51-8, N/A, 120410-24-4, 23020-18-0, 3471-10-1, 99633-82-6,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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