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130532-76-2 | 2-Naphthalenecarboxylic acid, 8-[[(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-
CAS No: 130532-76-2 Catalog No: AG000ULC MDL No:MFCD23701688
Product Description
Catalog Number:
AG000ULC
Chemical Name:
2-Naphthalenecarboxylic acid, 8-[[(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-
CAS Number:
130532-76-2
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD23701688
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-6-4-5-10-7-8-11(14(18)19)9-12(10)13/h7-9,13H,4-6H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
PSEAKRBXZOBNFR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCc2c1cc(cc2)C(=O)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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