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Home > Other Heterocycles > 83374-67-8
83374-67-8 | 3-(3-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)propenoic acid
CAS No: 83374-67-8 Catalog No: AG00GFB3 MDL No:
Product Description
Catalog Number:
AG00GFB3
Chemical Name:
3-(3-Isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)propenoic acid
CAS Number:
83374-67-8
IUPAC Name:
(E)-3-(3-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H7NO3/c1-10-6-4-7-9(5-6,13-7)3-2-8(11)12/h2-4,7H,5H2,(H,11,12)/b3-2+
InChI Key:
HNYIOENSKUGAAX-NSCUHMNNSA-N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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