Name: Name:2,3,6,7-tetrahydrooxepine-4-carboxylic acid
Brand: Angene
SKU: AG01C3S2
Rating: 90 (10 reviews)

2,3,6,7-tetrahydrooxepine-4-carboxylic acid

CAS No.:

1499189-51-3

Catalog Number:

AG01C3S2

Molecular Formula:

C7H10O3

Molecular Weight:

142.1525

Catalog Number:

AG01C3S2

Chemical Name:

2,3,6,7-tetrahydrooxepine-4-carboxylic acid

CAS Number:

1499189-51-3

Molecular Formula:

C7H10O3

Molecular Weight:

142.1525

MDL Number:

MFCD31559665

IUPAC Name:

2,3,6,7-tetrahydrooxepine-4-carboxylic acid

InChI:

InChI=1S/C7H10O3/c8-7(9)6-2-1-4-10-5-3-6/h2H,1,3-5H2,(H,8,9)

InChI Key:

MFHHNEVYSKIOES-UHFFFAOYSA-N

SMILES:

OC(=O)C1=CCCOCC1

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

142.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

142.154g/mol

Monoisotopic Mass:

142.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5