AG001ZID

17422-74-1 | 4H-​1-​Benzopyran-​3-​carboxaldehyde, 4-​oxo-

AG001ZID

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CAS Number	17422-74-1
Catalog Number	AG001ZID(AGN-PC-0JLWL1)
Chemical Name	4H-​1-​Benzopyran-​3-​carboxaldehyde, 4-​oxo-
EC Number	241-451-5
IUPAC Name	4-oxochromene-3-carbaldehyde
InChI	InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
InChI Key	FSMYWBQIMDSGQP-UHFFFAOYSA-N
MDL Number	MFCD00014667
Molecular Formula	C10H6O3
Molecular Weight	174.1528
NSC Number	291317
SMILES	O=c1c2c(occ1C=O)cccc2
Synonyms	17422-74-1, Chromone-3-carboxaldehyde, 4-Oxo-4H-chromene-3-carbaldehyde, 3-Formylchromone, 3-CHROMONECARBALDEHYDE, 4-oxochromene-3-carbaldehyde, 4-Oxo-4H-1-benzopyran-3-carboxaldehyde, 3-Formylchromones, 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-, MFCD00014667, CHEMBL86905, FSMYWBQIMDSGQP-UHFFFAOYSA-N, 3-FORMYL-4-OXO-4H-CHROMENE, EINECS 241-451-5, NSC291317, Chromone-3-Carbaldehyde, AC1Q6PYH, 3-Formylchromone, 97%, ACMC-1BV6M, AC1L3CZ0, SCHEMBL127924, 4-oxo-chromene-3-carbaldehyde, CTK3J7194, ZINC57727, DTXSID30169795, KS-00000G2K, STR02001, 4-oxo-1-benzopyran-3-carboxaldehyde, ANW-22704, BDBM50131078, SBB032967, STK519609, 4-Oxo-4H-chromene-3-carbaldehyde #, 4-oxidanylidenechromene-3-carbaldehyde, AKOS000268840, CS-W017515, KAN-104141, MCULE-5229220901, NSC-291317, VZ26715, AJ-09775, AK-60932, BP-20173, NCI60_002396, SY048640, ZB002240, 4-oxo-4H-1-benzopyran-3- carboxaldehyde, AB0001874, FT-0615539, O0291, ST45029707, X6416, MFCD00014667 (97%), A811623, J-010972, I14-50866, InChI=1/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6, C10H6O3, 4-oxo-4H-chromen-3-carbaldehyde, CID87112, C10-H6-O3, CB10095,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.032g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.155g/mol
Monoisotopic Mass	174.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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