AG00IHS1

93735-22-9 | 2H-1,4-Benzoxazine,3,4-dihydro-7-methoxy-

AG00IHS1

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CAS Number	93735-22-9
Catalog Number	AG00IHS1(AGN-PC-0W3CZM)
Chemical Name	2H-1,4-Benzoxazine,3,4-dihydro-7-methoxy-
IUPAC Name	7-methoxy-3,4-dihydro-2H-1,4-benzoxazine
InChI	InChI=1S/C9H11NO2/c1-11-7-2-3-8-9(6-7)12-5-4-10-8/h2-3,6,10H,4-5H2,1H3
InChI Key	SHPHWZPKRWHBKE-UHFFFAOYSA-N
MDL Number	MFCD11101009
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	COC1=CC=C2C(OCCN2)=C1
Synonyms	93735-22-9, 7-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine, 7-METHOXY-3,4-DIHYDRO-2H-1,4-BENZOXAZINE, 7-METHOXY-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE, SCHEMBL4233305, CTK5H2886, KS-00000FIO, DTXSID40601075, SHPHWZPKRWHBKE-UHFFFAOYSA-N, MFCD11101009, RW2719, ZINC95775325, AKOS006307394, MB09263, AK140716, SC-14652, AJ-133871, ST24045689, 2H-1,4-Benzoxazine,3,4-dihydro-7-methoxy-, W-4350, ACN-029000, 2H-1,4-Benzoxazine, 3,4-dihydro-7-methoxy-,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number