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157131-00-5 | 1-Naphthalenecarboxylic acid, 2-amino-1,2-dihydro-1-methyl-, (1R,2S)-
CAS No: 157131-00-5 Catalog No: AG001P8Y MDL No:
Product Description
Catalog Number:
AG001P8Y
Chemical Name:
1-Naphthalenecarboxylic acid, 2-amino-1,2-dihydro-1-methyl-, (1R,2S)-
CAS Number:
157131-00-5
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
(1R,2S)-2-amino-1-methyl-2H-naphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-12(11(14)15)9-5-3-2-4-8(9)6-7-10(12)13/h2-7,10H,13H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChI Key:
XCBLFMYHCGCXEL-CMPLNLGQSA-N
SMILES:
OC(=O)[C@@]1(C)[C@@H](N)C=Cc2c1cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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