Ald--Ph-PEG2-acid

CAT: 0127-BIPG1016-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1016-01Size:100 mg

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CAS Number

1807534-84-4

MDL Number

MFCD28122946

Smiles

OC(=O)CCOCCOCCNC(=O)c1ccc(C=O)cc1

Chemical Information

Ald-ph-peg2-acid

CAS Number	1807534-84-4
PubChem CID	77078144
IUPAC Name	3-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]propanoic acid
Molecular Formula	C15H19NO6
Molecular Weight	309.31
XLogP	-0.1
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	352

SMILES

C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCC(=O)O

InChI

InChI=1S/C15H19NO6/c17-11-12-1-3-13(4-2-12)15(20)16-6-8-22-10-9-21-7-5-14(18)19/h1-4,11H,5-10H2,(H,16,20)(H,18,19)

InChIKey

SMXKUAVAORJSAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807534-84-4

CID: 77078144

Formula: C15H19NO6

MW: 309.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.31
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	309.12123733
Monoisotopic Mass	309.12123733
Topological Polar Surface Area	102 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	352
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