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113527-40-5 | Propanedioic acid, 2-(2-naphthalenylmethyl)-2-[(tetrahydro-2-furanyl)methyl]-
CAS No: 113527-40-5 Catalog No: AG0008WC MDL No:
Product Description
Catalog Number:
AG0008WC
Chemical Name:
Propanedioic acid, 2-(2-naphthalenylmethyl)-2-[(tetrahydro-2-furanyl)methyl]-
CAS Number:
113527-40-5
Molecular Formula:
C19H20O5
Molecular Weight:
328.3591
IUPAC Name:
2-(naphthalen-2-ylmethyl)-2-(oxolan-2-ylmethyl)propanedioic acid
InChI:
InChI=1S/C19H20O5/c20-17(21)19(18(22)23,12-16-6-3-9-24-16)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,20,21)(H,22,23)
InChI Key:
UFPLEVXTSJRMIX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)(Cc1ccc2c(c1)cccc2)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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