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144335-23-9 | 1-Azabicyclo[2.2.1]heptane-3-carboxylic acid, 3-hydroxy-, methyl ester
CAS No: 144335-23-9 Catalog No: AG001JC2 MDL No:
Product Description
Catalog Number:
AG001JC2
Chemical Name:
1-Azabicyclo[2.2.1]heptane-3-carboxylic acid, 3-hydroxy-, methyl ester
CAS Number:
144335-23-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
methyl 3-[(4-methylphenyl)sulfinylamino]-3-phenylbutanoate
InChI:
InChI=1S/C18H21NO3S/c1-14-9-11-16(12-10-14)23(21)19-18(2,13-17(20)22-3)15-7-5-4-6-8-15/h4-12,19H,13H2,1-3H3
InChI Key:
IELXERIOKUYSQC-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)CN2CC1CC2
NSC Number:
666559
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.43g/mol
Monoisotopic Mass:
331.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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