AG000U4B

13019-20-0 | 3-Heptanone, 2-methyl-

AG000U4B

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CAS Number	13019-20-0
Catalog Number	AG000U4B(AGN-PC-0WCZF2)
Chemical Name	3-Heptanone, 2-methyl-
EC Number	235-877-0
FEMA Number	4000
IUPAC Name	2-methylheptan-3-one
InChI	InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChI Key	XYYMFUCZDNNGFS-UHFFFAOYSA-N
MDL Number	MFCD00009481
Molecular Formula	C8H16O
Molecular Weight	128.2120
NSC Number	21978
SMILES	C(=O)(C(C)C)CCCC
UNII	CH4JHS76WY
Synonyms	2-Methylheptan-3-one, 2-METHYL-3-HEPTANONE, 13019-20-0, 3-Heptanone, 2-methyl-, UNII-CH4JHS76WY, Butyl isopropyl ketone, 2-Methylheptanone-(3), CH4JHS76WY, 3-Heptanone, 2-methyl- (8CI)(9CI), NSC21978, EINECS 235-877-0, NSC 21978, ACMC-209bhn, 2-methyl-heptan-3-one, 3-Heptanone,2-methyl-, AC1L19EU, AC1Q2V6A, SCHEMBL102831, 2-Methyl-3-heptanone, 98%, 2-Methyl-3-heptanone, 99%, DTXSID3073395, CTK0H6813, XYYMFUCZDNNGFS-UHFFFAOYSA-, XYYMFUCZDNNGFS-UHFFFAOYSA-N, ZINC1589669, 5543AA, ANW-19161, MFCD00009481, NSC-21978, AKOS009156813, AJ-27655, AK113851, CJ-25406, DB-041949, ST2417094, TC-107906, FT-0636773, M0693, J-005759, I14-49165, InChI=1/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3, 3-Methyl-2-heptanone, C8H16O, C8-H16-O, CID25611,

Complexity	84.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.12g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.215g/mol
Monoisotopic Mass	128.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	danger
UN Code	UN 1224

Certificate of Analysis

Lot Number