3-Acetyl-4-methoxy Coumarin

CAT: 1596-AR-C08383-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-C08383-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

71703-23-6

Molecular Formula

C12H10O4

Molecular Weight

218.21

API Name

Coumarin

Chemical Information

Methoxy-acetyl coumarine

CAS Number	71703-23-6
PubChem CID	12499681
IUPAC Name	3-acetyl-4-methoxychromen-2-one
Molecular Formula	C12H10O4
Molecular Weight	218.20
XLogP	1.5
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	356

SMILES

CC(=O)C1=C(C2=CC=CC=C2OC1=O)OC

InChI

InChI=1S/C12H10O4/c1-7(13)10-11(15-2)8-5-3-4-6-9(8)16-12(10)14/h3-6H,1-2H3

InChIKey

SZQRXXBHMPVWBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71703-23-6

CID: 12499681

Formula: C12H10O4

MW: 218.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.20
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	218.05790880
Monoisotopic Mass	218.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	356
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	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C03679-01	3-Acetyl-4-Hydroxy Coumarin
AR-C08382-01	3-Acetyl-4-hydroxy-5-methyl Coumarin
AR-C03670-01	7-Methoxy Coumarin
AR-C03677-01	3,4-Dihydro Coumarin
AR-C03675-01	3-Methy Coumarin
AR-C03678-01	4-Butoxy Coumarin
AR-C03668-01	4-Hydroxy Coumarin
AR-C03676-01	3-Ethyl Coumarin
AR-C05308-01	Coumarin
AR-C08381-01	4-Hydroxy-5-methyl Coumarin

Catalog	Name
OR351023	6-Methoxy-3- (4'-methoxyphenyl) coumarin
OR351029	8-Methoxy-3- (4'-methoxyphenyl) coumarin
OR351096	7-Methoxy-3- (4'-methoxyphenyl) coumarin
OR351024	6-Methoxy-3- (4’-nitrophenyl) coumarin
439757-01	7-Methoxy-4- (trifluoromethyl) coumarin
TRC-M271990-100MG	7-Methoxy-4-(trifluoromethyl)coumarin
T31016	Coumarin, 3-glyoxyloyl-8-methoxy-
sc-206626	3-Benzoyl-7-methoxy Coumarin
OR40530-01	3-Acetyl-7- (diethylamino) coumarin
OR1078041	8-Methoxy-4-methylbenzo[g]coumarin