AG00ALZF

15177-66-9 | (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid

AG00ALZF

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CAS Number	15177-66-9
Catalog Number	AG00ALZF(AGN-PC-0O4BKP)
Chemical Name	(1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
IUPAC Name	4-ethoxycarbonylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C10H16O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChI Key	FAFFYFMLKGDSEQ-UHFFFAOYSA-N
MDL Number	MFCD12407187
Molecular Formula	C10H16O4
Molecular Weight	200.2316
NSC Number	167504
SMILES	O=[C@]([C@H]1CC[C@H]([C@@](O)=O)CC1)OCC
Synonyms	(1R,4R)-4-(ETHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID, 15177-66-9, 4-(ethoxycarbonyl)cyclohexanecarboxylic acid, 114478-93-2, NSC167504, AC1L6QVK, 4-ethoxycarbonylcyclohexane-1-carboxylic acid, SCHEMBL1296409, SCHEMBL8485910, DTXSID50304828, ZINC1664405, 7613AA, AKOS015843390, AKOS015999881, ZINC100022667, ZINC248266290, NSC-167504, AJ-28965, AX8215900, AM20070456, FT-0711367, I14-10273, C10H16O4, CID296933, 4-ethoxycarbonylcyclohexane-1-carboxylate, A15254, (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylicacid,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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