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100382-57-8 | 1H-Tetrazole-1-acetic acid, 5-(1-naphthalenyl)-
CAS No: 100382-57-8 Catalog No: AG0001U0 MDL No:
Product Description
Catalog Number:
AG0001U0
Chemical Name:
1H-Tetrazole-1-acetic acid, 5-(1-naphthalenyl)-
CAS Number:
100382-57-8
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
IUPAC Name:
2-(5-naphthalen-1-yltetrazol-1-yl)acetic acid
InChI:
InChI=1S/C13H10N4O2/c18-12(19)8-17-13(14-15-16-17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,18,19)
InChI Key:
UKBMGEDKXHHBCF-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nnnc1c1cccc2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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