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168762-94-5 | 2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 168762-94-5 Catalog No: AG001Y9C MDL No:
Product Description
Catalog Number:
AG001Y9C
Chemical Name:
2-Butynoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
168762-94-5
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoic acid
InChI:
InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h6H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
UEFFBQMMDMUCRR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC#CC(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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