Home Other Building Blocks 3,4-dihydro-1H-2-benzopyran-1-carboxamide

3,4-dihydro-1H-2-benzopyran-1-carboxamide

CAS No.:
860368-80-5
Catalog Number:
AG01A5KL
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG01A5KL
Chemical Name:
3,4-dihydro-1H-2-benzopyran-1-carboxamide
CAS Number:
860368-80-5
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD12815828
IUPAC Name:
3,4-dihydro-1H-isochromene-1-carboxamide
InChI:
InChI=1S/C10H11NO2/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(H2,11,12)
InChI Key:
ZPUKOQODOMASGC-UHFFFAOYSA-N
SMILES:
NC(=O)C1OCCc2c1cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties