AG00HZID

17092-92-1 | 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-

AG00HZID

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CAS Number	17092-92-1
Catalog Number	AG00HZID(AGN-PC-0O4U1Q)
Chemical Name	2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-
EC Number	239-390-4
FEMA Number	4020
IUPAC Name	4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
InChI	InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
InChI Key	IMKHDCBNRDRUEB-UHFFFAOYSA-N
MDL Number	MFCD06409997
Molecular Formula	C11H16O2
Molecular Weight	180.2435
NSC Number	357087
SMILES	O=C1O[C@@]2(C)C(C(C)(C)CCC2)=C1
Synonyms	2-hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one, 17092-92-1, 15356-74-8, DIHYDROACTINIDIOLIDE, Dihydroactinolide, (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone, 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone, AK-62444, ( inverted exclamation markA)dihydro actinidiolide, 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one, dihydroactinidolide, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one, 4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone, 4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one, Dihydroactindiolide, R-(-)Dihydro actinidiolide, EINECS 239-390-4, AC1L1CQ7, KSC914Q9N, SCHEMBL3503557, CHEMBL2271411, CTK8B4896, KS-00000EZU, IMKHDCBNRDRUEB-UHFFFAOYSA-N, 5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one, 2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone, ANW-46618, MFCD06409997, NSC357087, AKOS015902000, CS-W022041, FCH1121135, FS-3501, NSC-357087, AN-19303, M304, RT-003609, 4CH-006512, 4CH-007201, FT-0624949, ST24032676, M-8127, 092D921, 4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one, I14-13316, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, 2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzo[b]furan-2(4H)-one, Tealactone, Actinidiolide, dihydro-, UNII-BH8469LVA9, UNII-O3M4862R3R, BH8469LVA9, C11H16O2, CID27209, C11-H16-O2, NSC 357087, (S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one, 2-oxo-4,4,7a-trimethyl-2,4,5,6,6,7a-hexahydrobenzofuran, (2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID GAMMA-LACTONE, 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aR)-, 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-, 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number