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168032-06-2 | 1,3-Benzodioxole-4-carboxylic acid, 2-methyl-2-(2-naphthalenyl)-, (2S)-
CAS No: 168032-06-2 Catalog No: AG001XQX MDL No:
Product Description
Catalog Number:
AG001XQX
Chemical Name:
1,3-Benzodioxole-4-carboxylic acid, 2-methyl-2-(2-naphthalenyl)-, (2S)-
CAS Number:
168032-06-2
Molecular Formula:
C19H14O4
Molecular Weight:
306.3121
IUPAC Name:
(2S)-2-methyl-2-naphthalen-2-yl-1,3-benzodioxole-4-carboxylic acid
InChI:
InChI=1S/C19H14O4/c1-19(14-10-9-12-5-2-3-6-13(12)11-14)22-16-8-4-7-15(18(20)21)17(16)23-19/h2-11H,1H3,(H,20,21)/t19-/m0/s1
InChI Key:
NTSHDLRBEQWVJT-IBGZPJMESA-N
SMILES:
OC(=O)c1cccc2c1O[C@@](O2)(C)c1ccc2c(c1)cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.317g/mol
Monoisotopic Mass:
306.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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