6-Methylchromone hydrate

CAT: 0024-sc-227096Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227096Size:1 g

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CAS Number

207511-19-1

Chemical Information

6-Methylchromone hydrate

CAS Number	207511-19-1
PubChem CID	16212708
IUPAC Name	6-methylchromen-4-one;hydrate
Molecular Formula	C10H10O3
Molecular Weight	178.18
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

CC1=CC2=C(C=C1)OC=CC2=O.O

InChI

InChI=1S/C10H8O2.H2O/c1-7-2-3-10-8(6-7)9(11)4-5-12-10;/h2-6H,1H3;1H2

InChIKey

QWIQUUMSUBFRAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 207511-19-1

CID: 16212708

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-278544	6-Methylchromone
sc-231732	3-Formyl-6-methylchromone
sc-352974	6-Chloro-7-methylchromone
sc-352974A	6-Chloro-7-methylchromone
sc-226043	3-Cyano-6-methylchromone
sc-233539	6-Bromo-2-methylchromone
sc-233574	6-Fluoro-2-methylchromone
sc-239109	6-Methylchromone-2-carboxylic acid
sc-337230	6-Methylchromone-3-carboxylic acid
sc-337230A	6-Methylchromone-3-carboxylic acid

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