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1468-42-4 | Hexanoic acid, 6-[(aminocarbonyl)amino]-
CAS No: 1468-42-4 Catalog No: AG001ECS MDL No:MFCD06655749
Product Description
Catalog Number:
AG001ECS
Chemical Name:
Hexanoic acid, 6-[(aminocarbonyl)amino]-
CAS Number:
1468-42-4
Molecular Formula:
C7H14N2O3
Molecular Weight:
174.1977
MDL Number:
MFCD06655749
IUPAC Name:
6-(carbamoylamino)hexanoic acid
InChI:
InChI=1S/C7H14N2O3/c8-7(12)9-5-3-1-2-4-6(10)11/h1-5H2,(H,10,11)(H3,8,9,12)
InChI Key:
BQNWWHFSEXYHKU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNC(=O)N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.2g/mol
Monoisotopic Mass:
174.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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