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181227-47-4 | 1H-Indene-2-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-dihydro-, (αS)-
CAS No: 181227-47-4 Catalog No: AG0022QZ MDL No:MFCD00671384
Product Description
Catalog Number:
AG0022QZ
Chemical Name:
1H-Indene-2-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-2,3-dihydro-, (αS)-
CAS Number:
181227-47-4
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD00671384
IUPAC Name:
(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-8-10-6-4-5-7-11(10)9-12/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key:
VCHHRDDQOOBPTC-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@H](C1Cc2c(C1)cccc2)NC(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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