Ac-HMBA-Linker

CAT: 0024-sc-291784Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-291784Size:5 g

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CAS Number

15561-46-3

Chemical Information

4-[(Acetyloxy)methyl]benzoic acid

CAS Number	15561-46-3
PubChem CID	7021590
IUPAC Name	4-(acetyloxymethyl)benzoic acid
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.5
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	216

SMILES

CC(=O)OCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey

DLMONAQGOXNQGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15561-46-3

CID: 7021590

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
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
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