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13216-34-7 | Urea,1,1-dimethyl-3-tricyclo[2.2.1.02,6]hept-3-yl- (8CI)
CAS No: 13216-34-7 Catalog No: AG0010B9 MDL No:
Product Description
Catalog Number:
AG0010B9
Chemical Name:
Urea,1,1-dimethyl-3-tricyclo[2.2.1.02,6]hept-3-yl- (8CI)
CAS Number:
13216-34-7
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
1,1-dimethyl-3-(3-tricyclo[2.2.1.02,6]heptanyl)urea
InChI:
InChI=1S/C10H16N2O/c1-12(2)10(13)11-9-5-3-6-7(4-5)8(6)9/h5-9H,3-4H2,1-2H3,(H,11,13)
InChI Key:
DVVYQZVUESPNSJ-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)NC1C2CC3C1C3C2
Properties
Complexity:
252
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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