AG0034NF

4401-20-1 | Cycloheptylacetic Acid

AG0034NF

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CAS Number	4401-20-1
Catalog Number	AG0034NF(AGN-PC-0JO6RD)
Chemical Name	Cycloheptylacetic Acid
IUPAC Name	2-cycloheptylacetic acid
InChI	InChI=1S/C9H16O2/c10-9(11)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,10,11)
InChI Key	DQNWKASPZFJVMJ-UHFFFAOYSA-N
MDL Number	MFCD01075701
Molecular Formula	C9H16O2
Molecular Weight	156.2221
NSC Number	18970
SMILES	C1(CCCCCC1)CC(=O)O
Synonyms	2-cycloheptylacetic acid, cycloheptylacetic acid, 4401-20-1, Cycloheptaneacetic acid, MFCD01075701, PubChem16200, ACMC-20ald3, AC1L5FGT, AC1Q5VJW, SCHEMBL177931, CTK1D8171, DTXSID70280877, DQNWKASPZFJVMJ-UHFFFAOYSA-N, Cycloheptylacetic acid, AldrichCPR, NSC18970, ZINC4691784, NSC-18970, AKOS009159434, MCULE-3247091796, RP01917, RTC-010695, AJ-51929, AS-45756, BL003152, AB0041373, DB-070505, TC-010695, FT-0624176, ST50824588, Y9120, X-3478, J-509236, I04-12992, Z1357827258, 2-cycloheptylaceticacid, CYCLOHEPTYLACETICACID, C9H16O2, AR-1I2894, CID227401, 2-cycloheptylacetic acid, 95% - 1G 1g, 5429-67-4,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.115g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.225g/mol
Monoisotopic Mass	156.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335-H411
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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