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30491-91-9 | Cyclobutanecarboxylic acid, 1-cyano-
CAS No: 30491-91-9 Catalog No: AG0030DA MDL No:MFCD11100208
Product Description
Catalog Number:
AG0030DA
Chemical Name:
Cyclobutanecarboxylic acid, 1-cyano-
CAS Number:
30491-91-9
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD11100208
IUPAC Name:
1-cyanocyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H7NO2/c7-4-6(5(8)9)2-1-3-6/h1-3H2,(H,8,9)
InChI Key:
UMPNPEAXNWBDME-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)C(=O)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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