AG008VAT

Name: 2,4-Pentandedione, 3-(phenylmethyl)
Brand: Angene Chemical
SKU: AG008VAT

1134-87-8 | 2,4-Pentandedione, 3-(phenylmethyl)

AG008VAT

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CAS Number	1134-87-8
Catalog Number	AG008VAT(AGN-PC-0JM2OL)
Chemical Name	2,4-Pentandedione, 3-(phenylmethyl)
IUPAC Name	3-benzylpentane-2,4-dione
InChI	InChI=1S/C12H14O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChI Key	WAJQTBOWJRUOOO-UHFFFAOYSA-N
MDL Number	MFCD00544307
Molecular Formula	C12H14O2
Molecular Weight	190.2384
NSC Number	35139
SMILES	C(CC1C=CC=CC=1)(C(C)=O)C(C)=O
Synonyms	3-Benzyl-2,4-pentanedione, 1134-87-8, 3-benzylpentane-2,4-dione, 2,4-Pentanedione, 3-(phenylmethyl)-, 2,4-Pentanedione, 3-benzyl-, 2,4-Pentanedione, 3-benzyl- (8CI), WAJQTBOWJRUOOO-UHFFFAOYSA-N, NSC35139, NSC 35139, 2, 3-benzyl-, AI3-18949, AC1Q5BZR, 2, 3-(phenylmethyl)-, AC1L3Z6F, 3-benzyl-pentane-2,4-dione, SCHEMBL1896075, CTK8D4895, DTXSID50150403, ZINC1667494, ZX-CM015187, MFCD00544307, NSC-35139, 2,4-Pentandedione, 3-(phenylmethyl), AKOS004907979, 3-Benzyl-2,4-pentanedione, AldrichCPR, AJ-29069, SC-87792, Y-8367, 5119789-25G, CID97757, AR-1F2057, C12-H14-O2, 1152-45-0,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.099g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited