4-Methylumbelliferyl decanoate

CAT: 0926-FM25973-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FM25973-01Size:0.5 g

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CAS Number

66185-70-4

Synonyms

Decanoic acid 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

MDL Number

MFCD00270049

Smiles

CCCCCCCCCC (=O) OC1=CC2=C (C=C1) C (=CC (=O) O2) C

Molecular Formula

C20H26O4

Molecular Weight

330.42 g/mol

Controlled

Chemical Information

4-Methylumbelliferyl Decanoate

CAS Number	66185-70-4
PubChem CID	4607825
IUPAC Name	(4-methyl-2-oxochromen-7-yl) decanoate
Molecular Formula	C20H26O4
Molecular Weight	330.4
XLogP	6.1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	24
Formal Charge	0
Complexity	455

SMILES

CCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C20H26O4/c1-3-4-5-6-7-8-9-10-19(21)23-16-11-12-17-15(2)13-20(22)24-18(17)14-16/h11-14H,3-10H2,1-2H3

InChIKey

HTFJJKMPGKQQNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66185-70-4

CID: 4607825

Formula: C20H26O4

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	330.18310931
Monoisotopic Mass	330.18310931
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	455
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
EN29174-01	4-Nitrophenyl decanoate
EM168113-01	4-Methylumbelliferyl dodecanoate
EM15599-01	4-Methylumbelliferyl butyrate
EM168129	4-Methylumbelliferyl-phosphoethanolamine
EM15597-01	4-Methylumbelliferyl caprylate
EM35421-01	4-Methylumbelliferyl palmitate
EM03203-01	4-Methylumbelliferyl oleate
EM67746-01	4-Methylumbelliferyl heptanoate
EM65953-01	4-Methylumbelliferyl lignocerate
EM52254-01	4-Methylumbelliferyl propionate

Catalog	Name
MBS639177-01	4-Methylumbelliferyl Decanoate
sc-214266A	4-Nitrophenyl decanoate
OR1011164-01	4- (Benzyloxy) Phenethyl Decanoate
161347	4-Dechloro-4- (4-chlorophenyl) Haloperidol Decanoate
TRC-D226490-100MG	4-Dechloro-4-(4-chlorophenyl) Haloperidol Decanoate
274694-01	2- (4-Benzyloxyphenyl) ethyl decanoate
161345	4-Dechloro-4- (3-chlorophenyl) Haloperidol Decanoate
TRC-D226480-1MG	4-Dechloro-4-(3-chlorophenyl) Haloperidol Decanoate
TRC-C378570-25MG	4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
sc-501189	4-[4- (4-Chlorophenyl) -4-hydroxypiperidine]-4-defluorohaloperidol Decanoate