Name: Name:Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-, (1R,3S)-rel-
Brand: Angene
SKU: AG002VQV
Rating: 90 (10 reviews)

Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-, (1R,3S)-rel-

CAS No.:

28587-41-9

Catalog Number:

AG002VQV

Molecular Formula:

C9H14O3

Molecular Weight:

170.2057

Catalog Number:

AG002VQV

Chemical Name:

Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-, (1R,3S)-rel-

CAS Number:

28587-41-9

Molecular Formula:

C9H14O3

Molecular Weight:

170.2057

MDL Number:

MFCD18829754

IUPAC Name:

(1S,3R)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid

InChI:

InChI=1S/C9H14O3/c1-5(10)6-4-7(8(11)12)9(6,2)3/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7+/m0/s1

InChI Key:

VZUKBNZKASVATD-NKWVEPMBSA-N

SMILES:

CC(=O)[C@H]1C[C@H](C1(C)C)C(=O)O

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.208g/mol

Monoisotopic Mass:

170.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8