Name: Name:2H-1-Benzopyran-3-carboxylic acid, 3,4-dihydro-6-Methoxy-, (3S)-
Brand: Angene
SKU: AG0023ZJ
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carboxylic acid, 3,4-dihydro-6-Methoxy-, (3S)-

CAS No.:

182570-28-1

Catalog Number:

AG0023ZJ

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

Catalog Number:

AG0023ZJ

Chemical Name:

2H-1-Benzopyran-3-carboxylic acid, 3,4-dihydro-6-Methoxy-, (3S)-

CAS Number:

182570-28-1

Molecular Formula:

C11H12O4

Molecular Weight:

208.2106

MDL Number:

MFCD00202020

IUPAC Name:

(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid

InChI:

InChI=1S/C11H12O4/c1-14-9-2-3-10-7(5-9)4-8(6-15-10)11(12)13/h2-3,5,8H,4,6H2,1H3,(H,12,13)/t8-/m0/s1

InChI Key:

YFYLMFXPYODSEB-QMMMGPOBSA-N

SMILES:

COc1cc2C[C@@H](COc2cc1)C(=O)O

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.213g/mol

Monoisotopic Mass:

208.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4