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16514-79-7 | Urea, 1,3-dimethyl-1-tricyclo[2.2.1.02,6]hept-3-yl- (8CI)
CAS No: 16514-79-7 Catalog No: AG001VAY MDL No:
Product Description
Catalog Number:
AG001VAY
Chemical Name:
Urea, 1,3-dimethyl-1-tricyclo[2.2.1.02,6]hept-3-yl- (8CI)
CAS Number:
16514-79-7
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
1,3-dimethyl-1-(3-tricyclo[2.2.1.02,6]heptanyl)urea
InChI:
InChI=1S/C10H16N2O/c1-11-10(13)12(2)9-5-3-6-7(4-5)8(6)9/h5-9H,3-4H2,1-2H3,(H,11,13)
InChI Key:
BXGBYJTWLVIDES-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C1C2CC3C1C3C2)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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