AG002JKN

2082-59-9 | Pentanoic acid, 1,1'-anhydride

AG002JKN

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CAS Number	2082-59-9
Catalog Number	AG002JKN(AGN-PC-0JLBYJ)
Chemical Name	Pentanoic acid, 1,1'-anhydride
EC Number	218-212-9
IUPAC Name	pentanoyl pentanoate
InChI	InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
InChI Key	DUCKXCGALKOSJF-UHFFFAOYSA-N
MDL Number	MFCD00009477
Molecular Formula	C10H18O3
Molecular Weight	186.2481
SMILES	C(CCCC)(=O)OC(CCCC)=O
Synonyms	Valeric anhydride, 2082-59-9, n-Valeric anhydride, Pentanoic anhydride, pentanoyl pentanoate, Pentanoic acid, anhydride, Pentanoic acid, 1,1'-anhydride, DUCKXCGALKOSJF-UHFFFAOYSA-N, MFCD00009477, VALERICANHYDRIDE, n-pentanoic anhydride, valeric acid anhydride, AC1L2MXU, AC1Q5XEF, Valeric anhydride, 97%, ACMC-1CO9F, SCHEMBL242588, CTK3J2012, DUCKXCGALKOSJF-UHFFFAOYSA-, EINECS 218-212-9, 5756AF, ANW-24243, ZINC45331644, AKOS015918324, ACM2082599, AN-50355, SC-18795, BB0295011, RT-000147, FT-0634021, Valeric anhydride, purum, >=98.0% (NT), C-07531, I14-8088, J-013658, F0001-0745, InChI=1/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3, Valeric anhydride; >95%, C10H18O3, CID74959, AR-1K8239, V0006, 6282-28-6,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.126g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.251g/mol
Monoisotopic Mass	186.126g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number