Home Other Building Blocks 2-(3,4-dihydro-2H-1-benzopyran-4-ylidene)acetic acid

2-(3,4-dihydro-2H-1-benzopyran-4-ylidene)acetic acid

CAS No.:
98232-82-7
Catalog Number:
AG01BCP2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG01BCP2
Chemical Name:
2-(3,4-dihydro-2H-1-benzopyran-4-ylidene)acetic acid
CAS Number:
98232-82-7
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD25948738
IUPAC Name:
2-(2,3-dihydrochromen-4-ylidene)acetic acid
InChI:
InChI=1S/C11H10O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,12,13)
InChI Key:
BKMPILQAFUNUBH-UHFFFAOYSA-N
SMILES:
OC(=O)C=C1CCOc2c1cccc2
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Properties