AG005P84

6786-30-7 | 3,4-Dihydrobenzo[b]oxepin-5(2H)-one

AG005P84

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CAS Number	6786-30-7
Catalog Number	AG005P84(AGN-PC-0JOVMZ)
Chemical Name	3,4-Dihydrobenzo[b]oxepin-5(2H)-one
IUPAC Name	3,4-dihydro-2H-1-benzoxepin-5-one
InChI	InChI=1S/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
InChI Key	KNTMEDNZPJADJU-UHFFFAOYSA-N
MDL Number	MFCD01648756
Molecular Formula	C10H10O2
Molecular Weight	162.1852
NSC Number	241045
SMILES	O=C1C2=CC=CC=C2OCCC1
Synonyms	3,4-Dihydrobenzo[b]oxepin-5(2H)-one, 6786-30-7, 3,4-Dihydro-2H-benzo[b]oxepin-5-one, 2,3,4,5-tetrahydro-1-benzoxepin-5-one, 3,4-Dihydro-1-benzoxepin-5(2H)-one, KNTMEDNZPJADJU-UHFFFAOYSA-N, Homochromanone-5, NSC241045, 3,4-dihydro-2H-1-benzoxepin-5-one, AC1Q6EQV, AC1L7RZ4, SCHEMBL379626, CTK5C6802, DTXSID50311279, 2H,3H,4H-benzo[f]oxepin-5-one, 3,4-dihydro-2h-benzoxepin-5-one, ZINC5353637, ANW-58396, MFCD01648756, AKOS008125560, MCULE-7113486032, NSC-241045, QC-5082, RL04592, 2,3-Dihydro-1-benzoxepin-5(4H)-one, AJ-53888, AS-50431, DA-19649, FS002101, 1-Benzoxepin-5(2H)-one, 3,4-dihydro-, 3,4-Dihydro-1-benzoxepin-5(2H)-one #, 5-oxo-2,3,4,5-tetrahydro-1-benzoxepine, AB0036196, TC-147141, CS-0006412, FT-0691978, ST24041154, ST51008858, TL80090552, Y3225, EN300-65885, A-7483, 3,4-Dihydro-2H-benzo[b]oxepin-5-one, AldrichCPR, J-511193, 3,4 - Dihydro - 2H - benzo[b]oxepin - 5 - one, C10H10O2, CID315575, ACN-044889,

Complexity	177
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	0
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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