AG003N91

49619-58-1 | 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde

AG003N91

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CAS Number	49619-58-1
Catalog Number	AG003N91(AGN-PC-0JUYPY)
Chemical Name	6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde
IUPAC Name	4-oxo-6-propan-2-ylchromene-3-carbaldehyde
InChI	InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3
InChI Key	FRRYMYQANNFABF-UHFFFAOYSA-N
MDL Number	MFCD00192183
Molecular Formula	C13H12O3
Molecular Weight	216.2326
SMILES	O=CC1=COC2=C(C=C(C(C)C)C=C2)C1=O
Synonyms	3-Formyl-6-isopropylchromone, 49619-58-1, 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde, 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 4h-1-benzopyran-6-isopropyl-4-oxo-3-carboxaldehyde, CHEMBL314229, FRRYMYQANNFABF-UHFFFAOYSA-N, 6-Isopropylchromone-3-carboxaldehyde, MFCD00192183, 6-(methylethyl)-4-oxochromene-3-carbaldehyde, PubChem9706, ACMC-1ARWH, AC1LEMN0, AC1Q1OW8, AC1Q6AH3, SCHEMBL127098, CTK1D5693, ZINC57745, DTXSID90350965, KS-00000VG3, 3-Formyl-6-isopropylchromone, 99%, ANW-73229, BDBM50131082, CI-110, SBB063751, AKOS015889650, AC-4715, MCULE-1321571126, VZ29782, ACM49619581, AJ-09786, BP-12446, H347, OR322063, SC-04819, ZB002251, 6-isopropyl-4-oxo-chromene-3-carbaldehyde, AX8021012, 4-oxo-6-propan-2-ylchromene-3-carbaldehyde, F0856, FT-0639872, ST50331444, 3-Formyl-6-isopropyl-4H-1-benzopyran-4-one, C-11664, 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde, I01-2798, 4H-1-Benzopyran-3-carboxaldehyde, 6-(1-methylethyl)-4-oxo-, C13H12O3, AR-1H1944, CID688711, ZINC00057745, 3-Formyl-6-isopropylchromone, 99% 1g, 6-isopropyl-4-oxo-4h-1-benzopuran-3-carboxaldehyde, 3-Cyano-4-methony-2-(1H)-pyridinoneC7H6N2O2, 50265-78-6, FC3,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.236g/mol
Monoisotopic Mass	216.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

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