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168903-03-5 | 1H-Indene-1-carboxylic acid, 3-amino-2,3-dihydro-, cis- (9CI)
CAS No: 168903-03-5 Catalog No: AG001YDI MDL No:MFCD01318231
Product Description
Catalog Number:
AG001YDI
Chemical Name:
1H-Indene-1-carboxylic acid, 3-amino-2,3-dihydro-, cis- (9CI)
CAS Number:
168903-03-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD01318231
IUPAC Name:
(1S,3R)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8-9H,5,11H2,(H,12,13)/t8-,9+/m0/s1
InChI Key:
BZZOSWZYMHVVBT-DTWKUNHWSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H](c2c1cccc2)N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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