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99556-74-8 | 3-METHOXY-4-[2-(1-PYRROLIDINYL)ETHOXY]BENZALDEHYDE OXALATE
CAS No: 99556-74-8 Catalog No: AG006NMU MDL No:MFCD08691795
Product Description
Catalog Number:
AG006NMU
Chemical Name:
3-METHOXY-4-[2-(1-PYRROLIDINYL)ETHOXY]BENZALDEHYDE OXALATE
CAS Number:
99556-74-8
Molecular Formula:
C16H21NO7
Molecular Weight:
339.3404
MDL Number:
MFCD08691795
IUPAC Name:
3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde;oxalic acid
InChI:
InChI=1S/C14H19NO3.C2H2O4/c1-17-14-10-12(11-16)4-5-13(14)18-9-8-15-6-2-3-7-15;3-1(4)2(5)6/h4-5,10-11H,2-3,6-9H2,1H3;(H,3,4)(H,5,6)
InChI Key:
IJGDBCHYCLVOIM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COc1cc(C=O)ccc1OCCN1CCCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.344g/mol
Monoisotopic Mass:
339.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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