Monotridecyl phthalate

CAT: 0926-WAA57781-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA57781-01Size:25 mg

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CAS Number

21577-81-1

Smiles

CCCCCCCCCCCCCOC (=O) C1=CC=CC=C1C (=O) O

Molecular Formula

C21H32O4

Molecular Weight

348.5 g/mol

Controlled

Chemical Information

2-tridecoxycarbonylbenzoic Acid

CAS Number	21577-81-1
PubChem CID	106230
IUPAC Name	2-tridecoxycarbonylbenzoic acid
Molecular Formula	C21H32O4
Molecular Weight	348.5
XLogP	8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Heavy Atom Count	25
Formal Charge	0
Complexity	367

SMILES

CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23/h12-13,15-16H,2-11,14,17H2,1H3,(H,22,23)

InChIKey

BKMAEERFCKIKJR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21577-81-1

CID: 106230

Formula: C21H32O4

MW: 348.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.5
XLogP3	8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	348.23005950
Monoisotopic Mass	348.23005950
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	367
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
TRC-M567205-100MG	Monotridecyl Phthalate
HY-29504-01	Hexaethylene glycol monotridecyl ether
CS-O-65331	Octaethylene Glycol Monotridecyl Ether
022805-01	Benzyl Butyl Phthalate for Synthesis (Butylbenzyl Phthalate)
HY-W011215-01	Dihexyl phthalate
HY-W011848-01	Monobenzyl phthalate
HY-N7106-01	Dimethyl phthalate
T20322-01	Diisopropyl phthalate
017805	Monooctyl Phthalate
017801-01	Monomethyl Phthalate