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113527-39-2 | Propanedioic acid, 2-(1-naphthalenylmethyl)-2-[(tetrahydro-2-furanyl)methyl]-
CAS No: 113527-39-2 Catalog No: AG000FPN MDL No:MFCD07367998
Product Description
Catalog Number:
AG000FPN
Chemical Name:
Propanedioic acid, 2-(1-naphthalenylmethyl)-2-[(tetrahydro-2-furanyl)methyl]-
CAS Number:
113527-39-2
Molecular Formula:
C19H20O5
Molecular Weight:
328.3591
MDL Number:
MFCD07367998
IUPAC Name:
2-(naphthalen-1-ylmethyl)-2-(oxolan-2-ylmethyl)propanedioic acid
InChI:
InChI=1S/C19H20O5/c20-17(21)19(18(22)23,12-15-8-4-10-24-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15H,4,8,10-12H2,(H,20,21)(H,22,23)
InChI Key:
RALQDQYWJRGAQI-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)(Cc1cccc2c1cccc2)CC1CCCO1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.364g/mol
Monoisotopic Mass:
328.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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