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101871-81-2 | Urea, N-phenyl-N'-2-propyn-1-yl-
CAS No: 101871-81-2 Catalog No: AG0005SW MDL No:MFCD11756585
Product Description
Catalog Number:
AG0005SW
Chemical Name:
Urea, N-phenyl-N'-2-propyn-1-yl-
CAS Number:
101871-81-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD11756585
IUPAC Name:
1-phenyl-3-prop-2-ynylurea
InChI:
InChI=1S/C10H10N2O/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h1,3-7H,8H2,(H2,11,12,13)
InChI Key:
LPMOFOYPMBQANL-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)Nc1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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