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100896-08-0 | 9-Anthracenepropanoic acid, α-amino-, (R)- (9CI)
CAS No: 100896-08-0 Catalog No: AG00033W MDL No:MFCD03788073
Product Description
Catalog Number:
AG00033W
Chemical Name:
9-Anthracenepropanoic acid, α-amino-, (R)- (9CI)
CAS Number:
100896-08-0
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
MDL Number:
MFCD03788073
IUPAC Name:
(2S)-2-amino-3-anthracen-9-ylpropanoic acid
InChI:
InChI=1S/C17H15NO2/c18-16(17(19)20)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10,18H2,(H,19,20)/t16-/m0/s1
InChI Key:
MRVJUNXMEDRMRO-INIZCTEOSA-N
SMILES:
OC(=O)[C@@H](Cc1c2ccccc2cc2c1cccc2)N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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