AG0029D8

204254-96-6 | 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5R,6S)-

AG0029D8

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CAS Number	204254-96-6
Catalog Number	AG0029D8(AGN-PC-0QUDDP)
Chemical Name	7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5R,6S)-
IUPAC Name	ethyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
InChI	InChI=1S/C14H22O4/c1-4-10(5-2)17-11-7-9(14(15)16-6-3)8-12-13(11)18-12/h7,10-13H,4-6,8H2,1-3H3/t11-,12+,13-/m1/s1
InChI Key	XZXCGRFGEVXWIT-FRRDWIJNSA-N
MDL Number	MFCD08063944
Molecular Formula	C14H22O4
Molecular Weight	254.3221
SMILES	O=C(C1=C[C@@H](OC(CC)CC)[C@@]2([H])O[C@@]2([H])C1)OCC
Synonyms	204254-96-6, Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate, (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate, Ethyl(3R,4S,5S)-4,5-Epoxy-3-(1-ethyl-propoxy)-cyclohex-1-ene-1-carboxylate, XZXCGRFGEVXWIT-FRRDWIJNSA-N, SCHEMBL5182791, CTK1A1773, ACT03233, BCP11027, AC-417, ANW-47518, CE0054, MFCD08063944, ZINC21999747, AKOS015895233, ACN-049990, ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate, AJ-80062, AK-30527, AN-15833, BC218887, BR-30527, AB1006723, AX8043887, ST2419275, 254E966, Ethyl(3R,4S,5S)4,5-Epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate, (1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3ene-3-carboxylate, (1S,5R,6S)-ethyl 5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate, ethyl (1S,5R,6S)-5-(pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate, (1alpha,6alpha)-5beta-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hepta-3-ene-3-carboxylic acid ethyl ester, (1S,5R,6S)-5-(1-ethyl-propoxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester, [1S-(1a,5b,6a)]-5-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid ethyl ester, 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-, ethyl ester, (1S,5R,6S)-, EEC- Epoxid, CS-T-22794, CS-T-54573, CID10131259, EC 429-020-1, Ethyl (1R,2R,6S)-2-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-4-carboxylate, Ethyl (1S,5R,6S)-5-(1-ethylpropoxy)-7-oxabicyclo(4.1.0)hept-3-ene-3-carboxylate, Ethyl (3R,4S,5S)-4,5-Epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate, Ethyl-(1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo [4,1,0]hept-3-ene-3-carboxylate, (1R,5S,6R)-rel-5-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Ethyl Ester,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	254.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.326g/mol
Monoisotopic Mass	254.152g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	48.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number