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101067-04-3 | Alanine, N-(9H-carbazol-9-ylacetyl)-2-methyl- (9CI)
CAS No: 101067-04-3 Catalog No: AG0003NH MDL No:
Product Description
Catalog Number:
AG0003NH
Chemical Name:
Alanine, N-(9H-carbazol-9-ylacetyl)-2-methyl- (9CI)
CAS Number:
101067-04-3
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
2-[(2-carbazol-9-ylacetyl)amino]-2-methylpropanoic acid
InChI:
InChI=1S/C18H18N2O3/c1-18(2,17(22)23)19-16(21)11-20-14-9-5-3-7-12(14)13-8-4-6-10-15(13)20/h3-10H,11H2,1-2H3,(H,19,21)(H,22,23)
InChI Key:
ZSXSQOIDPCPXRL-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)(C)C)Cn1c2ccccc2c2c1cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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